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Computational Chemistry & AI ML Jobs at Aurigene Pharmaceutical | Apply NowÂ
Are you looking for an exciting career at the cutting edge of drug discovery? Aurigene Pharmaceutical Services Limited in Bengaluru offers a unique opportunity to apply AI/ML methodologies in designing and optimizing novel therapeutics. This role allows you to collaborate with computational scientists, chemists, and biologists, while leveraging advanced machine learning to accelerate innovation in drug development
About the Company
Aurigene Pharmaceutical Services Limited (APSL), headquartered in Bengaluru, is a leading contract research, development, and manufacturing services organization (CRDMO). Backed by over two decades of scientific expertise, Aurigene provides end-to-end solutions in drug discovery, development, and manufacturing for global pharmaceutical and biotechnology companies. The company integrates advanced technologies, including AI/ML-driven platforms, with deep domain expertise in medicinal chemistry, biology, and process research to accelerate innovation and bring high-quality therapeutics to market efficiently.
Job Details
Job Post: Specialist – Computational Chemistry & AI ML
Required Qualifications
Education: Ph.D. in Computational/Medicinal Chemistry, Bio/Cheminformatics, AI/ML, or related field.
Experience:
- 3–6 years of experience (post-doctoral or industry).
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Expertise in deep learning (CNNs, RNNs, Transformers) and strong proficiency in Python with ML frameworks (TensorFlow, PyTorch).
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Hands-on experience with both structure-based and ligand-based drug discovery.
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Strong interest in agentic AI for autonomous, goal-driven scientific discovery.
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Excellent problem-solving, communication, and collaboration skills.
About the Job
Aurigene Pharmaceutical Services Limited in Bengaluru is seeking talented scientists to drive innovation in drug discovery using cutting-edge AI/ML technologies. This position offers the opportunity to integrate computational science, medicinal chemistry, and biology to accelerate the design and optimization of novel therapeutics.
Key Responsibilities
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AI-Driven Drug Discovery: Develop, validate, and deploy advanced ML models for de novo design, virtual screening, ADMET modeling, and hit-to-lead optimization.
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Scientific Integration: Collaborate with chemists, biologists, and computational experts to incorporate AI-derived insights into discovery workflows.
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Platform Development: Build and maintain AI/ML infrastructure to enable efficient data analysis and hypothesis generation.
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Research & Innovation: Stay updated with advancements in AI/ML for drug discovery, contribute to proprietary methods, and support intellectual property creation.
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Data Translation: Analyze large datasets and present actionable insights to cross-functional teams.
Why Join Us?
At Aurigene, you will contribute to high-impact scientific programs where AI and data science meet biology and chemistry. Our innovation-driven environment empowers you to leverage computational tools that shorten drug discovery timelines and improve success rates—creating real-world healthcare impact.
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