Centre for Cellular and Molecular Platforms (C-CAMP), is a Dept. of Biotechnology (Govt. of India) initiative and a not-for-profit organisation based in Bangalore. We act as an enabler of Bioscience Research, Innovation and Entrepreneurship by providing Research, Development, Training and Services in State Of The Art Technology Platforms. As a part C-CAMP's mandate of promoting entrepreneurship and innovation, C-CAMP has created and fostered an entrepreneur-friendly culture in and around academic/research environment through its involvement in seed funding schemes for Startups, Entrepreneur Mentorship program and Bio-incubation facility.
Post : Computational / Cheminformatics Scientist
About this role
The AI/ML team is a core pillar of this new scientific initiative at C-CAMP, Bangalore. Its mandate is twofold: accelerate drug-discovery programs through computational and machine-learning methods, and build reusable platform capabilities that support the broader research effort. All roles on this team are based at C-CAMP, Bangalore (on-site), report into the Head of Research, and are recruited and employed by C-CAMP.
Reports to : Centre Head and Global Project teams
Location : C-CAMP, Bangalore (on-site)
Education : PhD in computational chemistry, cheminformatics, medicinal chemistry, or a related field
Experience : Hands-on expertise with cheminformatics
Role overview
The Computational/Cheminformatics Scientist is the bridge between the AI/ML platform and the medicinal-chemistry bench. This role applies established computational-chemistry and cheminformatics methods to drive design decisions, manage compound data, and provide the day-to-day analytical backbone of the DMTA cycle. It complements the ML Scientist: less focused on building novel models, more on rigorous application of the computational toolkit to live chemistry problems.
Key responsibilities
• Run structure-based and ligand-based design: docking, pharmacophore modeling, molecular similarity, and SAR analysis to guide compound design.
• Own the compound registration and cheminformatics layer: structure standardization, property calculation, library design, and enumeration.
• Perform virtual screening and triage of vendor/virtual libraries to nominate compounds for synthesis and testing.
• Generate clear, decision-ready analyses for chemists and program teams within each DMTA cycle.
• Curate assay and compound data and feed high-quality datasets to the ML Scientist for model building.
• Support the with cheminformatics and computational analyses as needed.
Required Qualifications
• PhD in computational chemistry, cheminformatics, medicinal chemistry, or a related field — or equivalent experience.
• Hands-on expertise with cheminformatics toolkits (e.g., RDKit) and molecular modeling/docking software.
• Solid understanding of medicinal-chemistry principles, SAR, and drug-like property optimization.
• Scripting proficiency (Python) for data handling and workflow automation.
• Ability to communicate computational results to chemists in actionable terms.
• Experience with free-energy methods (FEP/MD), structure prediction, or generative design.
• Track record supporting hit-to-lead and lead-optimization campaigns.
• Familiarity with ML methods and collaboration with ML/data teams.
Apply by sending your CV to rails.bio@ccamp.res.in by Oct 31, 2026 with Computational / Cheminformatics Scientist mentioned in subject line.
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