Specialist – Computational Chemistry & AI/ML – Bengaluru

Job
March 28, 2026

Job Overview

Job Description

At Aurigene, we are looking for a visionary Specialist – Computational Chemistry & AI/ML to join our team in Bengaluru. This isn’t just a job—it’s a paradigm-shifting opportunity to leverage the power of AI to redefine the pace and potential of drug discovery. We are looking for a scientific expert who can translate theoretical concepts into tangible, life-saving medicines.

The Scientific Vision: Why This Role is Different
At Aurigene, we are moving beyond static models and pioneering autonomous, goal-driven systems that can navigate the vast chemical and biological landscapes with unprecedented efficiency. This role is a unique synthesis of advanced computational science and real-world pharmaceutical development.

Impact: Your expertise will be instrumental in optimizing every stage of the drug development lifecycle, from initial target identification to lead optimization. You will directly contribute to accelerating the journey of a promising molecule into a viable therapeutic.

Innovation: We are committed to pushing the boundaries of what is possible. You will be a key player in developing proprietary methodologies and intellectual property that will establish Aurigene as a leader in AI-driven drug discovery.

Integration: This role requires seamless collaboration with our world-class teams of medicinal chemists, biologists, and computational scientists. You will be the crucial link, translating intricate data and model outputs into actionable scientific strategies for our interdisciplinary teams.

The Scientific Blueprint for Success:
– We are seeking a rare blend of scientific rigor and entrepreneurial drive.
Academic Excellence: A Ph.D. in Computational/Medicinal Chemistry, Bio/Cheminformatics, or a related field, with 3-6 years of post-doctoral or industry experience.
– Technical Mastery: A strong foundation in machine learning, including deep learning architectures (CNNs, RNNs), with a proven track record of applying these techniques to complex biological and chemical datasets.
– Programming Prowess: Expert-level proficiency in Python, coupled with hands-on experience with leading machine learning frameworks such as TensorFlow and PyTorch.
– Domain Expertise: A comprehensive understanding of both structure-based and ligand-based drug discovery methodologies.

Ready to Build the Future with Us?
If you are a talented scientist with a passion for transforming drug discovery through the power of AI, we invite you to join us.

Apply now: You can apply on this link – https://lnkd.in/gFaWCcbF

or you can send your resume and cover letter to Krishnafulsure@aurigeneservices.com

Learn more about Aurigene Pharmaceutical Services Ltd and our capabilities.
https://lnkd.in/gViNBjjv

Specialist - Computational Chemistry & AI/ML - Bengaluru