Machine Learning Expert

1 week ago

Shimoga, Karnataka, India beBeeArtificialIntelligence Full time ₹ 1,50,00,000 - ₹ 2,50,00,000
Job Opportunity

We are seeking a seasoned expert to lead the development of cutting-edge machine learning models for protein–ligand structure prediction, de novo molecular generation, and multi-objective optimization.

This role involves partnering with our Ligand Design & Pose Prediction Lead to integrate chemical and biological expertise into the model pipeline, ensuring that our AI agents produce compounds that are potent, novel, and biologically relevant.

  • Develop innovative deep learning architectures for pocket-conditioned molecular generation, protein–ligand pose prediction, and multi-objective reinforcement learning.
  • Tune AlphaFold/OpenFold and related structure models for project-specific targets.
  • Integrate multi-modal biological context into generative and scoring models.
  • Develop and maintain scoring functions for binding affinity, selectivity, ADMET, and synthetic accessibility.

Required Qualifications:

  • PhD or MSc in Computer Science, Machine Learning, Computational Chemistry, Bioinformatics, or related field.
  • 2+ years of hands-on experience in deep learning model development, preferably in a scientific or molecular domain.
  • Strong expertise in generative modeling, 3D geometric deep learning, and reinforcement learning.

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