AI-Driven Drug Discovery Expert

5 days ago


Hubli, Karnataka, India beBeeDrugDiscovery Full time ₹ 1,50,00,000 - ₹ 2,50,00,000
Job Summary

We are seeking a highly skilled AI-Driven Drug Discovery Expert to lead the development and implementation of machine learning models for protein–ligand structure prediction, de novo molecular generation, and multi-objective optimization.

About the Role
  • Design and implement deep learning architectures for pocket-conditioned molecular generation, protein–ligand pose prediction, and multi-objective reinforcement learning for compound optimization.
  • Fine-tune AlphaFold/OpenFold and related structure models for project-specific targets.
  • Integrate multi-modal biological context into generative and scoring models.
Key Requirements
  • PhD or MSc in Computer Science, Machine Learning, Computational Chemistry, Bioinformatics, or related discipline.
  • 2+ years of hands-on experience in deep learning model development, ideally in a scientific or molecular domain.
  • Strong expertise in generative modeling, 3D geometric deep learning for molecular structures, and reinforcement learning.
  • Proficiency in Python with frameworks like PyTorch or TensorFlow.
What We Offer
  • A dynamic and collaborative work environment.
  • The opportunity to work on cutting-edge projects.
  • Professional growth and development opportunities.


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