AI-Driven Protein-Ligand Structure Prediction Specialist

7 days ago

Jaipur, Rajasthan, India beBeeDeep Full time ₹ 1,93,53,467 - ₹ 2,51,09,361

We're on the cusp of a revolution in drug discovery, driven by cutting-edge AI technologies. Our team is pushing the boundaries of what's possible with structural predictions, generative molecular design, and reinforcement learning agents.

As a Deep Learning Lead, you'll be responsible for architecting, training, and deploying machine learning models for protein-ligand structure prediction, de novo molecular generation, and multi-objective optimization. You'll collaborate closely with our Ligand Design & Pose Prediction Lead to integrate chemical and biological expertise into the model pipeline.

  • Main Responsibilities
  • Design deep learning architectures for pocket-conditioned molecular generation, protein-ligand pose prediction, and multi-objective reinforcement learning.
  • Fine-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.

Qualifications Required

We're looking for individuals with a strong background in Computer Science, Machine Learning, Computational Chemistry, Bioinformatics, or related disciplines. A PhD or MSc is required, as well as 2+ years of hands-on experience in deep learning model development, preferably in a scientific or molecular domain.

A strong understanding of generative modeling, 3D geometric deep learning, and reinforcement learning is essential for this role.

About Us

We're a dynamic team dedicated to harnessing the power of AI to transform the field of drug discovery.

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