AI Drug Discovery Fellowship

You will be working at Centella AI Therapeutics, an AI-native drug discovery company founded by practicing scientists with 30+ years of combined experience. The company's platform, Centella CASCADE, is an end-to-end, disease-agnostic engine that utilizes generative models and medicinal chemistry to rapidly and intelligently design high-quality, drug-like molecules. They are looking for curious and technically strong individuals who are passionate about creating AI that engineers molecules, not just models. Key Responsibilities: - Architect and develop end-to-end Agentic AI systems across cloud and on-prem. - Integrate LLMs, cognitive services, and ML frameworks such as Semantic Kernel, LangChain, and AutoGen. - Build Retrieval-Augmented Generation (RAG) pipelines using vector databases and knowledge stores. - Enable agents to interpret and act on chemical and biomedical datasets. - Deploy scalable agents via Kubernetes, serverless, or containerized services. - Optimize LLMs through prompt engineering, fine-tuning, and caching. - Monitor system performance using observability and logging tools. - Iterate agent workflows based on testing, analytics, and scientific insights. - Collaborate with AI/ML teams and scientists to align with research goals. - Iterate workflows and maintain documentation following Responsible AI practices. Qualifications: - 12 years of experience in Machine Learning, Deep Learning, or computational drug discovery. - Bachelors/Masters in CS, AI/ML, Bioinformatics, Comp. Biology, ChemE, or related field. - Strong Python skills with experience in PyTorch/TensorFlow model development. - Exposure to generative models (Diffusion/VAEs/Transformers) either in academic or industry settings. - Experience in designing and deploying AI workflows on multi-cloud or hybrid infrastructure. - Familiarity with vector databases, RAG pipelines, and autonomous agent-driven workflows. - Knowledge of multi-agent orchestration, memory management, security, and Responsible AI principles. - Understanding of security and compliance in multi-cloud environments. Logistics: - Duration: 3 to 6 months. - Type: Onsite. - Location: Hyderabad.,