Join us and contribute to the discovery of medicines that will impact lives! Hyderabad, India | Hybrid | Full-Time About Aganitha High-throughput experimentation, computational & data-driven modeling, and the advent of the Open Science era are fundamentally transforming research, discovery, and development across diverse industries. Aganitha is at the forefront of co-innovation with global clients, shaping next-generation R&D (aganitha.ai). While our primary client base has been in global Biopharma, we are actively expanding our collaborations into consumer brands and, in the near future, the materials design industry. As a Scientist at Aganitha, you will be instrumental in leveraging cutting-edge advances in computational chemistry, materials science, soft matter physics, AI/ML, and high-performance computing in the Cloud. You will contribute to accelerating design and development across a spectrum of applications, including but not limited to: small molecule therapeutics, biologics, gene, cell & RNA therapies within Biopharma; new product formulations for consumer brands; and novel materials for various industrial applications. You will collaborate closely with research leaders at our client organizations, identifying their needs and designing innovative solutions. Working with our internal technical and scientific teams, you will drive solutions from concept to launch and growth. You may also interact with external vendors to coordinate experimental validation of the in silico solutions developed at Aganitha. To excel in this role, you must possess a strong interest in engaging with customers to apply the latest scientific and technological advancements for R&D acceleration, thereby contributing to Aganitha’s growth. Key Responsibilities Perform advanced computational simulations (e.g., Periodic and non-periodic Quantum Mechanics, Atomistic and/or Coarse-grained variants of Molecular Dynamics, Monte Carlo, Brownian Dynamics, Langevin Dynamics, Dissipative Particle Dynamics, etc.) to understand stability, complex interactions and design principles relevant to various hard and soft matter systems e.g., inorganic/organic crystalline materials, surfactants, polymers, colloids, biomolecules, etc. Apply computational methods to materials design for various applications such as semiconductor devices, capture and storage of greenhouse gases, skin and body care formulations, excipients, etc. Conduct molecular modeling studies to investigate self-assembly phenomena and interactions between various components in the formulation of a material, such as surfactant or polymer interactions with diverse substrates (e.g., skin, hair, fabric). Interpret results from domain-specific simulations (e.g., MD, DFT) and structure the scientific data into features or descriptors—such as radial distribution functions, binding energies, surface areas, or density profiles—relevant for downstream AI/ML modeling of material properties or formulation performance. Understand, analyze, critique, and implement research papers, tailoring approaches to specific problem contexts. Develop clear and concise narratives of data-driven analyses performed using computational techniques. Effectively articulate and communicate complex domain knowledge to cross-functional teams. Participate actively in requirements gathering, design discussions, and demonstrations. Continuously learn and stay up-to-date on emerging technologies and scientific advancements in computational chemistry, materials science, and related fields—research opportunities for applying advanced computational methods to evolving industry challenges. Educational & Research Qualifications PhD, post-doctoral research, or equivalent higher studies in Computational Chemistry or Computational Physics applied to Materials Science, Polymer Science, Surfactant Science, Colloidal Chemistry, Soft Matter Physics, Fluid Dynamics, or a closely related field. Demonstrated first-hand research experience in problems in the domain of materials science, for example: Materials design for various applications such as semi-conductor devices, capture and storage of green-house gases, skin and body care formulations, excipients. Crystal structure prediction of inorganic/organic molecules Molecular/colloidal self-assembly and crystallization phenomena Interactions between various components in the formulation of a material, e.g., surfactant or polymer interactions with diverse substrates (e.g., skin, hair, fabric). Proficiency in at least one of the advanced computational chemistry methods viz. periodic and non-periodic Quantum Mechanics, Atomistic and/or Coarse-grained variants of Molecular Dynamics, Monte Carlo, Brownian Dynamics, Langevin Dynamics, Dissipative Particle Dynamics. Technical Skills Familiarity with computational chemistry packages such as Quantum Espresso, VASP, LAMMPS, PySCF, GROMACS, NAMD, CP2K, SIESTA, OpenMM, or similar. Must have a keen understanding of the interface of computer technology, high-throughput sciences, and chemistry/materials science. Added Advantages Familiarity with AI/ML methods and their application in scientific research. Expertise in computer programming (e.g., Python, C++, Fortran). Exposure to High-Performance Computing (HPC) environments and parallel computing. Soft Skills Excellent verbal and written communication skills are essential. Excellent communication skills, with the ability to distill complex scientific concepts into easily understandable insights for diverse audiences. Right attitude to collaborate effectively within a cross-functional team environment. Ability to quickly grasp new scientific domains and apply critical thinking to novel challenges. Comfortable working in a fast-paced, rapidly changing environment. Strong interest and aptitude to break down large, complex problem statements into manageable work packets.
Join us and contribute to the discovery of medicines that will impact lives! Hyderabad, India | Hybrid | Full-Time About Aganitha High-throughput experimentation, computational & data-driven modeling, and the advent of the Open Science era are fundamentally transforming research, discovery, and development across diverse industries. Aganitha is at the forefront of co-innovation with global clients, shaping next-generation R&D (aganitha.ai). While our primary client base has been in global Biopharma, we are actively expanding our collaborations into consumer brands and, in the near future, the materials design industry. As a Scientist at Aganitha, you will be instrumental in leveraging cutting-edge advances in computational chemistry, materials science, soft matter physics, AI/ML, and high-performance computing in the Cloud. You will contribute to accelerating design and development across a spectrum of applications, including but not limited to: small molecule therapeutics, biologics, gene, cell & RNA therapies within Biopharma; new product formulations for consumer brands; and novel materials for various industrial applications. You will collaborate closely with research leaders at our client organizations, identifying their needs and designing innovative solutions. Working with our internal technical and scientific teams, you will drive solutions from concept to launch and growth. You may also interact with external vendors to coordinate experimental validation of the in silico solutions developed at Aganitha. To excel in this role, you must possess a strong interest in engaging with customers to apply the latest scientific and technological advancements for R&D acceleration, thereby contributing to Aganitha’s growth. Key Responsibilities Perform Molecular Dynamics (MD) simulations and Quantum Mechanics (QM) calculations to deeply understand biomolecular interactions (protein-ligand, lipid-protein, lipid-nucleic acid interactions, etc.), support small molecule or PROTAC design, facilitate catalyst design for chemical reactions, investigate complex chemical reaction mechanisms, and conduct polymorph screening. Define appropriate data models and identify relevant features for developing AI/ML-based models for predicting crucial properties such as ADMET (Absorption, Distribution, Metabolism, Excretion, Toxicity) profiles, lattice energies, reaction yields, and selectivity. Understand, analyze, critique, and implement cutting-edge research, effectively tailoring the approaches to specific problem contexts. Develop clear, concise, and compelling narratives of data-driven analyses performed using QM or MD techniques, making complex findings accessible. Effectively articulate and communicate intricate domain knowledge to a cross-functional team. Actively participate in requirements gathering, design discussions, and solution demonstrations. Continuously learn and stay up-to-date on emerging technologies and scientific advancements in computational chemistry and structural biology. Research opportunities for the application of AI in the development of emerging therapeutic techniques. Qualifications PhD in Computational Chemistry, Cheminformatics, Structural Biology, Biochemistry, Biophysics, or a closely related field, coupled with a genuine passion for continuous learning. Strong interest in computational and data-driven methods with a clear understanding of how in silico approaches can significantly accelerate drug discovery and development processes. Must possess a keen understanding of the interface of computer technology, high-throughput sciences, and chemistry/biology. Demonstrated experience with computational tools and techniques commonly used in structural biology and biomolecular modeling (e.g., protein-ligand docking, protein-protein interaction studies, homology modeling). Prior experience in the Biopharma industry is a plus. Desired Technical Skills/Expertise Hands-on experience with molecular dynamics software packages (e.g., GROMACS, NAMD, AMBER, CHARMM,OpenMM, etc.). Familiarity with quantum chemistry software (e.g., PySCF, ORCA, NWChem, Quantum Espresso, etc.). Proficiency in at least one scripting/programming language, preferably Python, for data analysis, automation, and workflow development. Understanding of biomolecular docking and virtual screening methodologies. Exposure to data visualization tools for scientific data. Added Advantages Familiarity with AI/ML methods and their application in scientific research, including areas like QSAR/QSPR, generative models for molecular design, or predictive analytics in drug discovery. Expertise in computer programming (e.g., Python, C++, Fortran), including developing robust and reproducible code. Exposure to High-Performance Computing (HPC) environments, cloud computing platforms, and parallel computing techniques. Experience with database management in a scientific context. Soft Skills Excellent verbal and written communication skills are essential, with the ability to clearly articulate complex scientific and computational concepts to both technical and non-technical audiences. A proactive and collaborative attitude to work effectively within cross-functional teams, fostering an environment of shared learning and problem-solving. Demonstrated ability to quickly grasp new scientific domains and apply critical thinking to novel challenges, adapting to evolving project needs. Strong problem-solving mindset, capable of independently identifying issues and proposing effective solutions. Proven interest and aptitude to break down large, complex problem statements into manageable and actionable work packets. Comfortable working effectively in a fast-paced, rapidly changing research and development environment.
Join us and contribute to the discovery of medicines that will impact lives! Hyderabad, India | Hybrid | Full-Time About Aganitha High-throughput experimentation, computational & data-driven modeling, and the advent of the Open Science era are fundamentally transforming research, discovery, and development across diverse industries. Aganitha is at the forefront of co-innovation with global clients, shaping next-generation R&D (aganitha.ai). While our primary client base has been in global Biopharma, we are actively expanding our collaborations into consumer brands and, in the near future, the materials design industry. As a Scientist at Aganitha, you will be instrumental in leveraging cutting-edge advances in computational chemistry, materials science, soft matter physics, AI/ML, and high-performance computing in the Cloud. You will contribute to accelerating design and development across a spectrum of applications, including but not limited to: small molecule therapeutics, biologics, gene, cell & RNA therapies within Biopharma; new product formulations for consumer brands; and novel materials for various industrial applications. You will collaborate closely with research leaders at our client organizations, identifying their needs and designing innovative solutions. Working with our internal technical and scientific teams, you will drive solutions from concept to launch and growth. You may also interact with external vendors to coordinate experimental validation of the in silico solutions developed at Aganitha. To excel in this role, you must possess a strong interest in engaging with customers to apply the latest scientific and technological advancements for R&D acceleration, thereby contributing to Aganitha’s growth. Key Responsibilities Design and develop AI/ML models to solve complex problems in computational chemistry, such as predicting molecular properties, material behaviors, or reaction outcomes. Curate, process, and analyze scientific datasets from various sources, including literature and experimental data, ensuring data quality and readiness for model training. Develop intelligent featurization strategies that accurately represent chemical structures, physical properties, or biological interactions, drawing upon your scientific understanding. Implement, train, and evaluate cutting-edge Machine Learning and Deep Learning algorithms (e.g., CNNs, RNNs, LSTMs, Transformer architectures) to build robust predictive models. Rigorously validate models against client-provided data and established benchmarks, ensuring their accuracy, generalizability, and utility. Translate complex technical and scientific findings into clear, actionable insights for both technical and non-technical stakeholders. Collaborate effectively with computational chemists, data scientists, and wet lab scientists to define project requirements, iterate on solutions, and ensure successful deployment. Stay abreast of the latest advancements in AI/ML, computational chemistry, and relevant scientific domains, continuously seeking opportunities to apply new methodologies. Qualifications PhD, post-doctoral research, or equivalent higher studies in Computational Chemistry, Cheminformatics, Materials Science, Chemical Engineering, Biochemistry, or a closely related scientific discipline. Strong foundational understanding of the scientific principles underlying computational chemistry, materials science, or related fields (e.g., colloidal chemistry, polymer science, surfactant chemistry, soft condensed matter physics, etc.). Solid mathematical intuition of Machine Learning algorithms, including Deep Learning architectures such as Convolutional Neural Networks (CNNs), Recurrent Neural Networks (RNNs), LSTMs, and Transformer architectures. Proficiency in modular, typed, and object-oriented Python programming. A high-level understanding of the ML/DL project lifecycle , from data preparation and feature engineering through model development, training, evaluation, and deployment. Excellent problem-solving skills and the ability to apply critical thinking to complex scientific and technical challenges. Strong verbal and written communication skills , with the ability to effectively communicate technical concepts to diverse audiences. Desired Technical Skills/Expertise Hands-on experience with molecular dynamics software packages (e.g., GROMACS, NAMD, AMBER, CHARMM,OpenMM, etc.). Familiarity with quantum chemistry software (e.g., PySCF, ORCA, NWChem, Quantum Espresso, etc.). Proficiency in at least one scripting/programming language, preferably Python, for data analysis, automation, and workflow development. Understanding of biomolecular docking and virtual screening methodologies. Exposure to data visualization tools for scientific data. Added Advantages Experience in effectively building and deploying ML solutions using popular frameworks such as PyTorch, TensorFlow, Keras, or scikit-learn. Proficiency in shell scripting. Big Plus Exposure to large language models (LLMs) such as ChatGPT, Claude, or Gemini, and practical experience in utilizing such tools for day-to-day work (e.g., writing research reports, understanding new concepts, generating code).
Join us and contribute to the discovery of medicines that will impact lives! Hyderabad, India | Hybrid | Full-Time About Aganitha High-throughput experimentation, computational & data-driven modeling, and the advent of the Open Science era are fundamentally transforming research, discovery, and development across diverse industries. Aganitha is at the forefront of co-innovation with global clients, shaping next-generation R&D (aganitha.ai). While our primary client base has been in global Biopharma, we are actively expanding our collaborations into consumer brands and, in the near future, the materials design industry. As a Scientist at Aganitha, you will be instrumental in leveraging cutting-edge advances in computational chemistry, materials science, soft matter physics, AI/ML, and high-performance computing in the Cloud. You will contribute to accelerating design and development across a spectrum of applications, including but not limited to: small molecule therapeutics, biologics, gene, cell & RNA therapies within Biopharma; new product formulations for consumer brands; and novel materials for various industrial applications. You will collaborate closely with research leaders at our client organizations, identifying their needs and designing innovative solutions. Working with our internal technical and scientific teams, you will drive solutions from concept to launch and growth. You may also interact with external vendors to coordinate experimental validation of the in silico solutions developed at Aganitha. To excel in this role, you must possess a strong interest in engaging with customers to apply the latest scientific and technological advancements for R&D acceleration, thereby contributing to Aganitha’s growth. Key Responsibilities Perform advanced computational simulations (e.g., Periodic and non-periodic Quantum Mechanics, Atomistic and/or Coarse-grained variants of Molecular Dynamics, Monte Carlo, Brownian Dynamics, Langevin Dynamics, Dissipative Particle Dynamics, etc.) to understand stability, complex interactions and design principles relevant to various hard and soft matter systems e.g., inorganic/organic crystalline materials, surfactants, polymers, colloids, biomolecules, etc. Apply computational methods to materials design for various applications such as semiconductor devices, capture and storage of greenhouse gases, skin and body care formulations, excipients, etc. Conduct molecular modeling studies to investigate self-assembly phenomena and interactions between various components in the formulation of a material, such as surfactant or polymer interactions with diverse substrates (e.g., skin, hair, fabric). Interpret results from domain-specific simulations (e.g., MD, DFT) and structure the scientific data into features or descriptors—such as radial distribution functions, binding energies, surface areas, or density profiles—relevant for downstream AI/ML modeling of material properties or formulation performance. Understand, analyze, critique, and implement research papers, tailoring approaches to specific problem contexts. Develop clear and concise narratives of data-driven analyses performed using computational techniques. Effectively articulate and communicate complex domain knowledge to cross-functional teams. Participate actively in requirements gathering, design discussions, and demonstrations. Continuously learn and stay up-to-date on emerging technologies and scientific advancements in computational chemistry, materials science, and related fields—research opportunities for applying advanced computational methods to evolving industry challenges. Educational & Research Qualifications PhD, post-doctoral research, or equivalent higher studies in Computational Chemistry or Computational Physics applied to Materials Science, Polymer Science, Surfactant Science, Colloidal Chemistry, Soft Matter Physics, Fluid Dynamics, or a closely related field. Demonstrated first-hand research experience in problems in the domain of materials science, for example: Materials design for various applications such as semi-conductor devices, capture and storage of green-house gases, skin and body care formulations, excipients. Crystal structure prediction of inorganic/organic molecules Molecular/colloidal self-assembly and crystallization phenomena Interactions between various components in the formulation of a material, e.g., surfactant or polymer interactions with diverse substrates (e.g., skin, hair, fabric). Proficiency in at least one of the advanced computational chemistry methods viz. periodic and non-periodic Quantum Mechanics, Atomistic and/or Coarse-grained variants of Molecular Dynamics, Monte Carlo, Brownian Dynamics, Langevin Dynamics, Dissipative Particle Dynamics. Technical Skills Familiarity with computational chemistry packages such as Quantum Espresso, VASP, LAMMPS, PySCF, GROMACS, NAMD, CP2K, SIESTA, OpenMM, or similar. Must have a keen understanding of the interface of computer technology, high-throughput sciences, and chemistry/materials science. Added Advantages Familiarity with AI/ML methods and their application in scientific research. Expertise in computer programming (e.g., Python, C++, Fortran). Exposure to High-Performance Computing (HPC) environments and parallel computing. Soft Skills Excellent verbal and written communication skills are essential. Excellent communication skills, with the ability to distill complex scientific concepts into easily understandable insights for diverse audiences. Right attitude to collaborate effectively within a cross-functional team environment. Ability to quickly grasp new scientific domains and apply critical thinking to novel challenges. Comfortable working in a fast-paced, rapidly changing environment. Strong interest and aptitude to break down large, complex problem statements into manageable work packets.
Join us and contribute to the discovery of medicines that will impact lives! Hyderabad, India | Hybrid | Full-Time About Aganitha High-throughput experimentation, computational & data-driven modeling, and the advent of the Open Science era are fundamentally transforming research, discovery, and development across diverse industries. Aganitha is at the forefront of co-innovation with global clients, shaping next-generation R&D (aganitha.ai). While our primary client base has been in global Biopharma, we are actively expanding our collaborations into consumer brands and, in the near future, the materials design industry. As a Scientist at Aganitha, you will be instrumental in leveraging cutting-edge advances in computational chemistry, materials science, soft matter physics, AI/ML, and high-performance computing in the Cloud. You will contribute to accelerating design and development across a spectrum of applications, including but not limited to: small molecule therapeutics, biologics, gene, cell & RNA therapies within Biopharma; new product formulations for consumer brands; and novel materials for various industrial applications. You will collaborate closely with research leaders at our client organizations, identifying their needs and designing innovative solutions. Working with our internal technical and scientific teams, you will drive solutions from concept to launch and growth. You may also interact with external vendors to coordinate experimental validation of the in silico solutions developed at Aganitha. To excel in this role, you must possess a strong interest in engaging with customers to apply the latest scientific and technological advancements for R&D acceleration, thereby contributing to Aganitha’s growth. Key Responsibilities Design and develop AI/ML models to solve complex problems in computational chemistry, such as predicting molecular properties, material behaviors, or reaction outcomes. Curate, process, and analyze scientific datasets from various sources, including literature and experimental data, ensuring data quality and readiness for model training. Develop intelligent featurization strategies that accurately represent chemical structures, physical properties, or biological interactions, drawing upon your scientific understanding. Implement, train, and evaluate cutting-edge Machine Learning and Deep Learning algorithms (e.g., CNNs, RNNs, LSTMs, Transformer architectures) to build robust predictive models. Rigorously validate models against client-provided data and established benchmarks, ensuring their accuracy, generalizability, and utility. Translate complex technical and scientific findings into clear, actionable insights for both technical and non-technical stakeholders. Collaborate effectively with computational chemists, data scientists, and wet lab scientists to define project requirements, iterate on solutions, and ensure successful deployment. Stay abreast of the latest advancements in AI/ML, computational chemistry, and relevant scientific domains, continuously seeking opportunities to apply new methodologies. Qualifications PhD, post-doctoral research, or equivalent higher studies in Computational Chemistry, Cheminformatics, Materials Science, Chemical Engineering, Biochemistry, or a closely related scientific discipline. Strong foundational understanding of the scientific principles underlying computational chemistry, materials science, or related fields (e.g., colloidal chemistry, polymer science, surfactant chemistry, soft condensed matter physics, etc.). Solid mathematical intuition of Machine Learning algorithms, including Deep Learning architectures such as Convolutional Neural Networks (CNNs), Recurrent Neural Networks (RNNs), LSTMs, and Transformer architectures. Proficiency in modular, typed, and object-oriented Python programming. A high-level understanding of the ML/DL project lifecycle , from data preparation and feature engineering through model development, training, evaluation, and deployment. Excellent problem-solving skills and the ability to apply critical thinking to complex scientific and technical challenges. Strong verbal and written communication skills , with the ability to effectively communicate technical concepts to diverse audiences. Desired Technical Skills/Expertise Hands-on experience with molecular dynamics software packages (e.g., GROMACS, NAMD, AMBER, CHARMM,OpenMM, etc.). Familiarity with quantum chemistry software (e.g., PySCF, ORCA, NWChem, Quantum Espresso, etc.). Proficiency in at least one scripting/programming language, preferably Python, for data analysis, automation, and workflow development. Understanding of biomolecular docking and virtual screening methodologies. Exposure to data visualization tools for scientific data. Added Advantages Experience in effectively building and deploying ML solutions using popular frameworks such as PyTorch, TensorFlow, Keras, or scikit-learn. Proficiency in shell scripting. Big Plus Exposure to large language models (LLMs) such as ChatGPT, Claude, or Gemini, and practical experience in utilizing such tools for day-to-day work (e.g., writing research reports, understanding new concepts, generating code).
Join our team and contribute to the discovery of medicines that will impact lives! Located in Hyderabad, India, Aganitha is dedicated to accelerating drug discovery and development for Biopharma and Biotech R&D through innovative in silico solutions. Our team leverages Computational Biology & Chemistry, High throughput Sciences, AI, ML, HPC, Cloud, Data, and DevOps to drive advancements in the industry. In silico solutions have revolutionized the biopharma and biotech sectors, and our team of experts is at the forefront of this transformation. We are constantly expanding our multi-disciplinary team in Genomics, AI, and Cloud computing to accelerate drug discovery and development. Our passion lies in working in an innovation-rich, research-powered startup that bridges various disciplines to bring medicines to market faster. Collaborating with innovative Biopharma companies globally, we are committed to pushing boundaries and making a difference. As a part of our team, your key responsibilities will include engaging and co-innovating with R&D teams of our Biopharma clients, leading architecture initiatives, designing and overseeing implementation of solutions for BioPharma R&D, managing Engineering teams, enhancing reuse with platforms and frameworks, collaborating with business users, driving scope definition, and ensuring delivered solutions meet technical and functional requirements. Desired skills and expertise for this position include experience in big data engineering, cloud and DevOps automation, application development with modern tech stacks, and proficiency in Machine Learning and AI. Excellent communication skills and the ability to work in multidisciplinary teams are also essential. We are seeking individuals with educational qualifications such as a Bachelors, Masters, or Ph.D. in Computer Science or a related technical field to join our dynamic team at Aganitha. If you are passionate about making a difference in drug discovery and development, we invite you to join us in our mission to bring out your best and be limitless!,
Join us and contribute to the discovery of medicines that will impact lives! Aganitha is accelerating drug discovery and development for Biopharma and Biotech R&D with in silico solutions leveraging Computational Biology & Chemistry, High throughput Sciences, AI, ML, HPC, Cloud, Data, and DevOps. In silico solutions are transforming the biopharma and biotech industries. Our cross-domain science and technology team of experts embark upon and industrialize this transformation. We continually expand our world-class multi-disciplinary team in Genomics, AI, and Cloud computing, accelerating drug discovery and development. What drives us is the joy of working in an innovation-rich, research-powered startup bridging multiple disciplines to bring medicines faster for human use. We are working with several innovative Biopharma companies and expanding our client base globally. Read about how and what solutions we build. Aganitha, which means countless or limitless in Sanskrit, serves as a reminder and inspiration about the limitless potential in each one of us. Come join us to bring out your best and be limitless! Key Responsibilities: - Engage and co-innovate with R&D teams of our Biopharma clients, and collaborate with a team of Biologists, Medicinal Chemists, Computational Chemists, Computational Biologists, Data Scientists, Data Engineers, and Web Developers to create the next generation of innovative computational solutions for drug discovery and development. - Lead architecture initiatives from inception to completion - Design and oversee implementation of solutions for BioPharma R&D - Manage Engineering teams using Agile methodologies - Enhance reuse with platforms, frameworks, and libraries - Collaborate with business users to create architecture in alignment with a business need - Drive scope definition, requirements analysis, functional and technical design, application build, product configuration, unit testing, and production deployment and ensure delivered solutions meet/perform to technical and functional/non-functional requirements. - Champion the adoption of reusable architecture assets to improve efficiency - Produce documentation to aid in the understanding of existing architecture solutions - Advise our technical teams to optimize the recommended product suite in defining, building, and deploying end-to-end solutions - Lead the translation of the clients business requirements into systems design - Drive the development of prototypes and technology demonstrators within microservice architecture, cloud-native solutions - Design and document system installation and upgrade guides, specifications, and related standards and guide technical team, application specialists - Design application user guides, document common workflows, prepare training materials and conduct or participate in knowledge-sharing sessions with technical teams - Design future state reference architectures that will provide a template for teams to achieve security, scalability, reliability, and maintainability - Design and implement optimal deployment strategies and custom interfaces for integration with customer systems and technologies - Help customers tackle thorny technical issues by collaborating to create smart, efficient, and effective solutions - Work closely with customers on the installation, configuration, and update/maintenance of on-premises or cloud-hosted installations of our scientific computing and enterprise software applications - Collaborate with product managers, developers, and scientists, to improve the deployment, support, and configuration of our applications Desired Skills / Expertise: - Big data engineering with distributed computing frameworks - Cloud and DevOps automation - App dev with modern tech stacks of Python, ReactJS, and fit-for-purpose database technologies - Experience in directing/building solutions leveraging Machine learning (ML) and AI (Deep learning) - Excellent communication skills with a desire to work in multidisciplinary teams Educational Qualifications: - Bachelors / Masters / Ph.D. in Computer Science or related technical field,
Join and contribute to the discovery of medicines that will impact lives! Aganitha, located in Hyderabad, India, aims to accelerate drug discovery and development for Biopharma and Biotech R&D using in silico solutions. These solutions leverage Computational Biology & Chemistry, High throughput Sciences, AI, ML, HPC, Cloud, Data, and DevOps to transform the biopharma and biotech industries. Aganitha's team of experts in Genomics, AI, and Cloud computing focuses on accelerating drug discovery and development. The joy of working in an innovation-rich, research-powered startup that bridges multiple disciplines to bring medicines faster for human use drives the team. Aganitha works with several innovative Biopharma companies and is expanding its client base globally. As a member of Aganitha, you will apply your full-stack data science capabilities to help researchers accelerate the investigation of human diseases, exploration, design, and optimization of therapeutic options, as well as the design, analysis, and optimization of reactions - both chemical and bio syntheses. Key Responsibilities: - Scope, define, and deliver AI-based data products covering data analysis, visualization, storytelling, and data technologies - Build models, algorithms, simulations, and performance evaluation using state-of-the-art machine learning technologies - Apply NLP techniques for mining knowledge from different types of data to derive insights for downstream processes - Develop models and serve with PyTorch / Tensor Flow (TF) for deep learning research - Translate business requirements into tangible solution specifications and high-quality deliverables - Build solutions for data discovery, acquisition, processing & cleaning, integration & storage, and interpretation - Define and manage production processes using machine learning models through MLOps pipelines - Work with stakeholders to analyze & solve business problems using ML & AI capabilities and support deployment on a cloud platform - Stay updated on industry trends, innovations, and developments in AI/ML Desired Skills / Expertise: - Experience in Natural Language Understanding, Computer Vision, Machine Learning, Optimisation - Building and deploying ML systems using frameworks like PyTorch, TensorFlow, Keras, sklearn, etc. - Expertise in modular, typed, and object-oriented Python programming - Proficiency in core data science languages (Python, R, Scala) and data systems (SQL, NoSQL, knowledge graphs) - Excellent communication skills for multidisciplinary team collaboration Educational Qualifications: - Bachelors / Masters / Ph.D. in Computer Science or related technical field Aganitha leverages a virtuous cycle of innovation between Fundamental Sciences and Computer/Data Science, with a multi-disciplinary team at the forefront of these disciplines.,
Join us and contribute to the discovery of medicines that will impact lives! Aganitha is accelerating drug discovery and development for Biopharma and Biotech R&D with in silico solutions leveraging Computational Biology & Chemistry, High throughput Sciences, AI, ML, HPC, Cloud, Data, and DevOps. In silico solutions are transforming the biopharma and biotech industries. Our cross-domain science and technology team of experts embark upon and industrialize this transformation. We continually expand our world-class multi-disciplinary team in Genomics, AI, and Cloud computing, accelerating drug discovery and development. What drives us is the joy of working in an innovation-rich, research-powered startup bridging multiple disciplines to bring medicines faster for human use. We are working with several innovative Biopharma companies and expanding our client base globally. Aganitha, which means countless or limitless in Sanskrit, serves as a reminder and inspiration about the limitless potential in each one of us. Come join us to bring out your best and be limitless! Key Responsibilities - Develop and apply AI & computational models in SMOL, mAb, Gene & RNA therapy design and development. - Specifically looking for Ph.D. & Postdoc candidates who can contribute to disease studies, target identification, uncover mechanisms of action, and patient population stratification using various technologies such as Single-cell multi-omics, Whole genome sequencing, Proteogenomics, and High-throughput pre-clinical experimentation datasets. - De novo design, characterization, and optimization of therapeutic candidates in silico using computational omics and chemistry models and AI. This includes Antibody engineering, RNA design and optimization, and Viral Vector optimization for advanced cell and gene therapies. - Analysis and optimization of bio-synthesis reactions using AI/ML and computational modeling of underlying cellular processes. Educational Qualifications - Ph.D. candidates in Computational biology or related field.,
Join us and contribute to the discovery of medicines that will impact lives! Aganitha, based in Hyderabad, India, is at the forefront of high-throughput experimentation, Computational & Data-driven modeling, and the Open Science era, collaborating with global biopharma customers on next-generation R&D. As a Customer Solutions Manager at Aganitha, you will leverage advancements in Omics, Structural Biology, Protein and Antibody Engineering, Computational Quantum Chemistry, AI/ML, and High-performance computing in the Cloud to accelerate the design and development of various therapeutics. Your role will involve working closely with research leaders at customer organizations to understand their needs and develop tailored solutions in collaboration with internal technical and scientific teams. To excel in this position, you should have a keen interest in applying cutting-edge scientific and technological innovations to drive R&D acceleration and revenue growth for Aganitha. The company's name, Aganitha, meaning countless or limitless in Sanskrit, reflects the endless potential within each individual. Join us to unleash your full potential and be limitless! Key Responsibilities: - Engage with customers to apply the latest scientific and technological advances for R&D acceleration and revenue growth. - Define in silico solutions for areas of interest in disease research, drug discovery, and development processes. - Collaborate with prospects, customers, partners, and internal teams to develop solutions. - Interpret customer needs and refine solutions to address them effectively. - Clarify and define the solutions being developed. - Create content to describe solution capabilities and communicate with global biopharma scientists. - Support sales and marketing teams in market outreach and customer discussions. Desired Skills / Expertise: - Ph.D. in Biology, Chemistry, Biotechnology, Bioinformatics, or Cheminformatics with a passion for learning. - Interest in computational and data-driven methods to accelerate drug discovery processes. - Strong verbal and written communication skills. - Comfortable engaging with customers and working in a fast-paced environment. - Creativity, knowledge, and prioritization skills to refine existing solutions or develop new ones. - Prior experience in the Biopharma industry is advantageous. - MBA/PGDM qualifications are a plus.,
Join this opportunity and contribute towards the discovery of medicines that will have a positive impact on people's lives. Aganitha, located in Hyderabad, India, is dedicated to accelerating drug discovery and development for Biopharma and Biotech R&D through in silico solutions. These solutions leverage Computational Biology & Chemistry, High throughput Sciences, AI, ML, HPC, Cloud, Data, and DevOps to revolutionize the biopharma and biotech industries. The team at Aganitha is composed of experts in various domains, working together to industrialize the transformation brought about by in silico solutions. They are continuously expanding their multi-disciplinary team in Genomics, AI, and Cloud computing to accelerate drug discovery and development processes. The focus is on innovation, research, and bridging disciplines to deliver medicines faster for human use. Aganitha collaborates with several innovative Biopharma companies and is expanding its client base globally. The name "Aganitha," derived from Sanskrit, means countless or limitless, symbolizing the boundless potential within each individual. Join Aganitha to unleash your full potential and strive for limitless growth. As a DevOps specialist at Aganitha, your key responsibilities would include containerization and container orchestration using Kubernetes and Docker, automated provisioning of infrastructure with code using tools like Terraform and AWS CloudFormation, and experience with AWS/GCP platforms. Familiarity with HPC platforms such as SLURM/SGE is considered advantageous. Additionally, you will be involved in Linux systems administration, configuration management, build management, CI/CD pipelining for various applications, and database administration and storage management. To be considered for this role, candidates should hold a Bachelor's, Master's, or Ph.D. degree in Computer Science or a related technical field. Join Aganitha's dynamic team and be part of the journey towards impactful drug discovery and development.,
Join Aganitha and contribute to the discovery of medicines that will impact lives! Aganitha, at the forefront of co-innovation with global clients, is shaping next-generation R&D in diverse industries. As a Scientist at Aganitha, you will leverage cutting-edge advances in computational chemistry, materials science, soft matter physics, AI/ML, and high-performance computing in the Cloud. You will collaborate closely with research leaders at client organizations, drive solutions from concept to launch, and interact with external vendors for experimental validation. **Key Responsibilities** - Perform advanced computational simulations to understand stability and design principles relevant to various hard and soft matter systems - Apply computational methods to materials design for various applications such as semiconductor devices, greenhouse gases capture, and skin care formulations - Conduct molecular modeling studies to investigate self-assembly phenomena and interactions in material formulations - Interpret and structure scientific data for downstream AI/ML modeling of material properties - Develop clear narratives of data-driven analyses and effectively communicate complex domain knowledge to cross-functional teams - Stay up-to-date on emerging technologies and scientific advancements in computational chemistry and materials science **Educational & Research Qualifications** - PhD, post-doctoral research, or equivalent higher studies in Computational Chemistry or Computational Physics applied to Materials Science - Demonstrated research experience in materials science domain - Proficiency in advanced computational chemistry methods **Technical Skills** - Familiarity with computational chemistry packages such as Quantum Espresso, VASP, LAMMPS, GROMACS, or similar - Understanding of the interface of computer technology, high-throughput sciences, and chemistry/materials science **Added Advantages** - Familiarity with AI/ML methods in scientific research - Expertise in computer programming languages - Exposure to High-Performance Computing environments **Soft Skills** - Excellent verbal and written communication skills - Ability to distill complex scientific concepts for diverse audiences - Collaborative attitude within a cross-functional team environment - Strong interest in breaking down complex problems into manageable tasks,
As a Scientist at Aganitha, you will play a crucial role in leveraging cutting-edge advancements in computational chemistry, materials science, soft matter physics, AI/ML, and high-performance computing in the Cloud. Your contributions will accelerate design and development across various applications within Biopharma, consumer brands, and the materials design industry. **Key Responsibilities:** - Perform Molecular Dynamics (MD) simulations and Quantum Mechanics (QM) calculations to understand biomolecular interactions, support small molecule or PROTAC design, facilitate catalyst design, investigate chemical reaction mechanisms, and conduct polymorph screening. - Define data models and features for AI/ML-based models predicting properties like ADMET profiles, lattice energies, reaction yields, and selectivity. - Analyze cutting-edge research, tailor approaches to specific contexts, and communicate data-driven analyses effectively. - Articulate intricate domain knowledge to cross-functional teams, actively participate in design discussions, and stay updated on emerging technologies in computational chemistry and structural biology. - Research opportunities for AI application in therapeutic techniques. **Qualifications:** - PhD in Computational Chemistry, Cheminformatics, Structural Biology, Biochemistry, Biophysics, or related field with a passion for continuous learning. - Strong interest in computational and data-driven methods for accelerating drug discovery and development. - Understanding of the intersection of computer technology, high-throughput sciences, and chemistry/biology. - Proficiency in computational tools used in structural biology and biomolecular modeling. - Prior experience in the Biopharma industry is advantageous. **Desired Technical Skills/Expertise:** - Hands-on experience with molecular dynamics software packages like GROMACS, NAMD, AMBER, CHARMM, OpenMM, etc. - Familiarity with quantum chemistry software such as PySCF, ORCA, NWChem, Quantum Espresso, etc. - Proficiency in a scripting/programming language, preferably Python, for data analysis and workflow development. - Understanding of biomolecular docking and virtual screening methodologies. - Exposure to data visualization tools for scientific data. **Added Advantages:** - Knowledge of AI/ML methods in scientific research, including QSAR/QSPR, generative models for molecular design, or predictive analytics in drug discovery. - Expertise in computer programming languages like Python, C++, Fortran for developing reproducible code. - Experience with High-Performance Computing (HPC) environments, cloud computing platforms, and parallel computing techniques. - Familiarity with database management in a scientific context. **Soft Skills:** - Excellent verbal and written communication skills to explain complex scientific concepts clearly. - Proactive and collaborative attitude for effective teamwork and problem-solving. - Ability to grasp new scientific domains quickly and apply critical thinking to challenges. - Strong problem-solving mindset to identify issues and propose solutions independently. - Interest and ability to break down complex problems into manageable tasks. - Comfortable working in a fast-paced, evolving research and development environment.,
As a member of the team at Aganitha, you will be contributing to the discovery of medicines that have the potential to impact lives. Situated in Hyderabad, India, Aganitha is focused on expediting drug discovery and development for Biopharma and Biotech R&D by utilizing innovative in silico solutions. Our team harnesses Computational Biology & Chemistry, High throughput Sciences, AI, ML, HPC, Cloud, Data, and DevOps to foster progress in the industry. - Engage and co-innovate with R&D teams of Biopharma clients - Lead architecture initiatives and design solutions for BioPharma R&D - Manage Engineering teams and enhance reuse with platforms and frameworks - Collaborate with business users and drive scope definition - Ensure delivered solutions meet technical and functional requirements The ideal candidate for this role should possess expertise in big data engineering, cloud and DevOps automation, application development with modern tech stacks, and proficiency in Machine Learning and AI. Additionally, excellent communication skills and the ability to work effectively in multidisciplinary teams are crucial. Aganitha is looking for individuals with educational qualifications such as a Bachelors, Masters, or Ph.D. in Computer Science or a related technical field to be part of our dynamic team. If you are enthusiastic about making a meaningful impact in drug discovery and development, we welcome you to join us on our mission to unleash your full potential and break boundaries!,