36 Gromacs Jobs

Hi, We have an immediate opening for HPC Engineer L2 with our organization SHI India Solutions India Pvt Ltd. PFB JD for your reference: Should know the below mentioned: Work location - Delhi Experience - 3+years(relevant) on HPC Applications HPC Skill Set Cluster Tool Kit: Rocks, xCAT, OpenHPC Scheduler: PBS Pro, SLURM MPI: Intel, OpenMPI PFS: Lustre, GPFS Compile, install scientific applications including: GROMACS, NAMD, LAMMPS, OpenFOAM, Gaussian , etc. Numerical libraries like BLAS, LAPACK, FFTW, ScaLAPACK, MKL . Configure and manage Docker or containerized HPC environments (Singularity, Podman). Integrate and optimize Intel OneAPI , GCC , and MPI (Intel MPI, OpenMPI, MPICH) environments...

Company Description At Prescience Insilico, we are at the forefront of innovation in scientific software solutions. We specialize in creating cutting-edge software tools tailored for the R&D in the Life Science and Materials Science industries and academia. Our mission is to empower researchers, scientists, and institutions with the tools they need to accelerate discoveries and breakthroughs in these critical fields. We also collaborate with the pharma, materials, chemical, and energy industries to accelerate their R&D through AI/ML and computational modeling and simulations. Job Description The role requires a deep understanding of Computational Chemistry and Materials Science in the domain...

TCS Hiring- Scientist for R&D in emulation/data science Location : Mumbai/ Kolkata/ Pune/Chennai Experience :5-10 years overall experience, spread across a combination of manufacturing industry, consulting, information & technology services. Minimum of 2-5 years in IT/ Consulting Technical Skill: Modeling using molecular dynamics (MD) simulation tools such as GROMACS/Amber/OpenMD etc.; Familiarity with basic computational chemistry for organic and inorganic compounds, polymers, organometallic molecules; Understanding of ML tools as applicable to chemistry R&D including cheminformatic tools such as RDKit, MDG etc. Must have Skill : Technical Ability to work with opensource models (GitHub or s...

As a Bioinformatics Scientist at our company, you will be responsible for collaborating and contributing to Biotechnology and Biologicals projects using cutting-edge bioinformatics and molecular modelling techniques. Your role will involve utilizing your deep understanding of chemical, biological, scientific, and statistical knowledge to support enzyme engineering, peptide design, immunogenicity prediction, and more in the agrochemical/pharma industry. Additionally, you will have the opportunity to work on crop protection discovery, data analytics, and explore the latest applications of artificial intelligence and machine learning. **Key Responsibilities:** - Actively embrace the values and ...

You will be joining the team as a System Development Engineer focusing on the Hybrid Scientific Computing Stack. A strong background in computer science and software development is required for this role, and knowledge of quantum computing would be an added advantage. - Work on backend services such as FastAPI, Celery, OAuth, PostgreSQL, and Redis - Be involved in hybrid job orchestration using tools like Celery, RabbitMQ, Slurm, and Kubernetes - Manage containerized workflows using Docker, Singularity, and Helm - Handle monitoring and observability tasks with tools like Prometheus, Grafana, Loki, and Flower - Deploy cloud-based solutions on platforms like GCP, AWS, and Azure, as well as man...

As a Systems Development Engineer for the Hybrid Scientific Computing Stack, your role will involve managing backend services such as FastAPI, Celery, OAuth, PostgreSQL, and Redis. Additionally, you will be responsible for orchestrating hybrid jobs using tools like Celery, RabbitMQ, Slurm, and Kubernetes. You will also work on containerized workflows with Docker, Singularity, Helm, and Kubernetes. Monitoring and observability tasks will require the use of tools like Prometheus, Grafana, Loki, and Flower. Cloud-based deployment on platforms like GCP, AWS, and Azure, as well as secure on-prem server management including GPU/CPU scheduling, RBAC, and SSH-only access, will also be under your res...

Position Purpose The role holder is responsible for collaboration & contribution to Biotechnology (enzyme engineering and discovery, Metagenomics analysis), Biologicals (peptide design, immunogenicity prediction, etc.) using state-of-the-art bioinformatics and molecular modelling approaches for an agrochemical/pharma industry. The role requires deep understanding of chemical, biological, scientific and statistical knowledge with past experience of its application. The role would also give exposure to crop protection discovery, data analytics and latest use cases in artificial intelligence and machine learning. General Actively imbibing the values and philosophy of the organization and the de...

Role Overview: As a Senior Scientist at Quantumzyme, a leading company specializing in biocatalysis, you will be responsible for leading a team of researchers to achieve project goals successfully. Your primary role will involve utilizing your expertise in Computational Biology, Computational Chemistry, or Bioinformatics to manage both industrial and academic projects effectively. Your contributions will play a crucial role in revolutionizing the way chemicals are produced, making processes greener and more cost-effective. Key Responsibilities: - Lead and mentor a team to ensure project success. - Develop and execute creative project plans, proactively troubleshoot experimental issues. - App...

HPC Engineer(L2) with Application Expertise Role Overview: An L2 HPC (High-Performance Computing) Engineer with an application skillset is responsible for supporting, troubleshooting, and maintaining HPC infrastructure and assisting users with scientific and engineering applications. They operate between infrastructure and application layers, ensuring optimal performance and availability of both. Core Responsibilities: HPC Cluster Support: Manage day-to-day operations of HPC clusters (Slurm, PBS, LSF), monitor jobs, and node health, and manage user issues at L2. Application Support & Optimization: Support scientific/engineering applications (ANSYS, Gaussian, GROMACS, OpenFOAM, etc.) includin...

Hi, We have an immediate requirement for HPC Applications Engineer with our organization SHI Locuz Enterprise Solutions Pvt Ltd. PFB JD L2 Skill HPC Engineer with Application Expertise Role Overview: An L2 HPC (High-Performance Computing) Engineer with an application skillset is responsible for supporting, troubleshooting, and maintaining HPC infrastructure and assisting users with scientific and engineering applications. They operate between infrastructure and application layers, ensuring optimal performance and availability of both. Core Responsibilities: HPC Cluster Support: Manage day-to-day operations of HPC clusters (Slurm, PBS, LSF), monitor jobs, and node health, and manage user issu...

We are seeking a highly skilled and motivated Scientist with a PhD in Computational Biology, Computational Chemistry, or Bioinformatics to join our team in Bengaluru. The ideal candidate will have 0.6 to 4 years of experience and will be responsible for leading a team to achieve project goals and manage both industrial and academic projects successfully.

As an Intern in Computational Biology at Quantumzyme, you will engage in various bioinformatics and computational biology projects. This role provides a valuable opportunity to gain hands-on experience and contribute to scientific research. About the Role: We are seeking a talented and motivated Computational Biology Intern to join our team. As an intern, you will have the opportunity to contribute to cutting-edge research projects, learn from experienced scientists, and develop your skills in computational biology and bioinformatics. Responsibilities: Data Analysis: Analyze large-scale biological datasets, including genomic, transcriptomic, and proteomic data. Bioinformatics Tools: Utilize ...

Position Overview We are looking for a motivated Backend Systems Engineer to join our team. Candidates should have a strong background in computer science and software development. Knowledge of quantum computing is a plus. Key Responsibilities • Design and develop robust, scalable, and secure backend services using Python (FastAPI/Django/Flask) and async frameworks. • Implement RESTful APIs following best practices in OpenAPI/Swagger, versioning, validation (Pydantic), and error handling. • Architect and manage job orchestration systems using Celery, RabbitMQ/Redis, and integrate with various compute backends. • Build and maintain authentication & authorization mechanisms, leveraging JWT, OA...

As a Senior Scientist at Quantumzyme in Bengaluru, Karnataka, India, you will play a crucial role in leading a team to achieve project goals in the field of biocatalysis. Quantumzyme is a company dedicated to revolutionizing chemical production processes, making them more sustainable and cost-effective. Key Responsibilities: - Lead and mentor a team to ensure project success. - Develop and execute creative project plans, proactively troubleshoot experimental issues. - Apply in-depth knowledge in Molecular Modelling, Docking, Molecular Mechanics, Quantum Mechanics, Molecular Dynamics Simulation, and QM/MM Simulations. - Understand protein structure, function, dynamics, and engineering. - Prof...

Job Title: Computational Structural Biologist Experience: Fresher to 2 years Location: Delhi JD for Computational Structural Biology Team We are seeking a talented and enthusiastic COMPUTATIONAL STRUCTURAL BIOLOGIST to join our innovative team. As part of our team, you will have the opportunity to work on cutting-edge projects that have a significant impact on patient care and medical research. Responsibilities: Computer aided drug discovery for hit identification. Protein engineering de novo protein design and computational evaluation Develop and implement computational models to study protein structures. Computational antibody engineering Conduct molecular docking, dynamics simulations, an...

As a Scientist at Quantumzyme in Bengaluru, Karnataka, India, you will be responsible for leading a team to achieve project goals and successfully manage both industrial and academic projects. Your key responsibilities will include: - Leading and mentoring a team to ensure project success. - Developing and executing creative project plans, proactively troubleshooting experimental issues. - Applying in-depth knowledge in Molecular Modelling, Docking, Molecular Mechanics, Quantum Mechanics, Molecular Dynamics Simulation, and QM/MM Simulations. - Understanding protein structure, function, dynamics, and engineering. - Proficiency in Fortran, C, C++, Perl, and Python. - Teaching and training team...

L2 Skill HPC Engineer with Application Expertise Role Overview: An L2 HPC (High-Performance Computing) Engineer with an application skillset is responsible for supporting, troubleshooting, and maintaining HPC infrastructure and assisting users with scientific and engineering applications. They operate between infrastructure and application layers, ensuring optimal performance and availability of both. Core Responsibilities: HPC Cluster Support: Manage day-to-day operations of HPC clusters (Slurm, PBS, LSF), monitor jobs, and node health, and manage user issues at L2. Application Support & Optimization: Support scientific/engineering applications (ANSYS, Gaussian, GROMACS, OpenFOAM, etc.) inc...

Hi, We have an immediate requirement for HPC Applications Engineer with our organization SHI Locuz Enterprise Solutions Pvt Ltd. PFB JD L2 Skill HPC Engineer with Application Expertise Role Overview: An L2 HPC (High-Performance Computing) Engineer with an application skillset is responsible for supporting, troubleshooting, and maintaining HPC infrastructure and assisting users with scientific and engineering applications. They operate between infrastructure and application layers, ensuring optimal performance and availability of both. Core Responsibilities: HPC Cluster Support: Manage day-to-day operations of HPC clusters (Slurm, PBS, LSF), monitor jobs, and node health, and manage user issu...

Job Description: We are seeking a highly skilled and motivated Structural Biologist to join our drug discovery programs. The ideal candidate will bring deep expertise in macromolecular structure determination and modeling, with a focus on elucidating protein structures, analyzing ligand binding, and driving rational drug design in collaboration with computational and medicinal chemistry teams. Key Responsibilities: Analyze protein-ligand interactions to inform medicinal chemistry and lead optimization efforts. Conduct molecular dynamics (MD) simulations and free energy calculations to evaluate complex stability and binding energetics. Apply structural insights to guide hit-to-lead and lead o...

Job Description: • We are seeking a highly skilled and motivated Structural Biologist to join our drug discovery programs. The ideal candidate will bring deep expertise in macromolecular structure determination and modeling, with a focus on elucidating protein structures, analyzing ligand binding, and driving rational drug design in collaboration with computational and medicinal chemistry teams. Key Responsibilities: • Analyze protein-ligand interactions to inform medicinal chemistry and lead optimization efforts. • Conduct molecular dynamics (MD) simulations and free energy calculations to evaluate complex stability and binding energetics. • Apply structural insights to guide hit-to-lead an...

The candidate should be a MSc or MTech (Bioinformatics/Computational Chemistry) graduate with 2-4 years of experience. The annual salary will be as per market standard and the location of the job is Bengaluru. As a member of the team, you will play a key role in achieving project goals for both industrial and academic projects. You will be responsible for developing creative project plans and proactively troubleshooting any problems that may arise during experiments. Core skills required for this position include knowledge and experience in Modelling, Docking, and Molecular Dynamics simulation. Additionally, you should have a basic understanding of protein structure, function, dynamics, and ...

Job Description: HPC Architect – Stealth AI Startup Location: Remote Experience: 5+ Years in High-Performance Computing (HPC) Type: Full-Time About Us: Join our innovative stealth AI startup, driving breakthroughs in Artificial Intelligence and High-Performance Computing (HPC). We are a well-funded company with an exceptional leadership team, dedicated to solving complex problems and pushing the boundaries of AI. We are looking for highly skilled HPC Architects passionate about optimizing scientific applications, designing scalable HPC systems, and developing AI-powered solutions. Responsibilities: Optimize and port scientific and AI/ML applications to harness maximum performance on HPC syst...

About The Job We are seeking a skilled Data Platform Engineer with expertise in High-Performance Computing (HPC) and cloud computing to support our scientific research activities globally (Canada, US, France and Germany mostly). The ideal candidate will have experience in managing and optimizing Linux-based HPC environments, as well as proficiency in AWS cloud services. This role involves collaborating with various R&D groups to provide technical support and drive continuous improvements in our computing infrastructure. The candidate should be adept at handling both open-source and commercial software across different R&D fields. What You Will Be Doing Support in-silico activities in the Bos...

You should be an individual with an MSc or MTech degree in Bioinformatics or Computational Chemistry, coupled with 2 to 4 years of experience in the field. Your responsibilities will include being an integral part of a team dedicated to accomplishing project goals successfully, encompassing both industrial and academic projects. It will be your duty to devise innovative project plans for each project under your supervision, and you should demonstrate proactive troubleshooting abilities to handle any experimental challenges that may arise. Your core skills should revolve around expertise in Modelling, Docking, and Molecular Dynamics simulation. Additionally, you should possess a foundational ...

Our client collaborates with some of the world’s leading AI research labs to build advanced language models that simulate expert reasoning. We are looking for experienced professionals in Biological Sciences, Bioengineering, Biomedical Engineering, Biochemistry, or Biophysics to join a unique AI training initiative. Position: Life Sciences & Biomedical Experts – AI Trainer Type: Hourly Contract (Remote) Compensation: $45–$75/hour Location: Fully remote & asynchronous Duration: 10–20 hrs/week, 1–2 months (extension possible) Role Overview As an AI Trainer, you will leverage your scientific expertise to help train advanced AI systems. You’ll develop prompts, validate AI-generated outputs, and ...