Artificial Intelligence Expert – AI-Powered Medicinal Chemist

1 week ago

Rajahmundry, Andhra Pradesh, India beBeeDeepLearning Full time ₹ 1,50,00,000 - ₹ 2,00,00,000
AI-Driven Drug Discovery Architect

Pattern is developing a cutting-edge AI drug discovery engine that combines AlphaFold/OpenFold structural predictions, generative molecular design, and reinforcement learning agents to navigate the vast chemical universe.

We seek an experienced Deep Learning Lead to architect, train, and deploy machine learning models for protein–ligand structure prediction, de novo molecular generation, and multi-objective optimization. The successful candidate will partner closely with our Ligand Design & Pose Prediction Lead to integrate chemical and biological expertise into the model pipeline, ensuring our AI agents produce compounds that are potent, novel, and biologically relevant.

Key Responsibilities
  • Design and implement deep learning architectures for:
  • Pocket-conditioned molecular generation (e.g., Pocket2Mol, SE(3)-equivariant GNNs, 3D diffusion models).
  • Protein–ligand pose prediction (DiffDock, EquiBind, custom SE(3)-transformers).
  • Multi-objective reinforcement learning for compound optimization (potency, ADMET, novelty).

The ideal candidate will have hands-on experience in deep learning model development, ideally in a scientific or molecular domain, and be proficient in Python with frameworks like PyTorch or TensorFlow. Experience in handling molecular datasets (PDB, ChEMBL, binding affinity data) is also essential.

Qualifications Required
  • PhD or MSc in Computer Science, Machine Learning, Computational Chemistry, Bioinformatics, or related discipline.
  • Strong expertise in generative modeling (transformers, diffusion models, graph neural networks).
  • Experience with 3D geometric deep learning for molecular structures (SE(3)-equivariant architectures).
Why This Role Matters

This is a unique opportunity to work at the forefront of AI-driven drug discovery, shaping the future of medicine and contributing to the development of innovative treatments. Your contributions will have a direct impact on the lives of millions worldwide.

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