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AI Engine Architect – Deep Learning Model Development

2 weeks ago

Belgaum, Karnataka, India beBeeMachine Full time ₹ 40,00,000 - ₹ 50,00,000
Job Description

We are seeking a skilled Architect of Machine Learning Models to lead the development of cutting-edge AI engines that combine AlphaFold/OpenFold structural predictions, generative molecular design, and reinforcement learning agents to navigate the vast possibilities in small-molecule chemical space.

This is an exciting opportunity for a talented individual to partner with our Ligand Design Lead and integrate chemical and biological expertise into the model pipeline, ensuring our AI agents produce compounds that are potent, novel, and biologically relevant.

  • Design and implement 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.
Required Skills and Qualifications

To succeed in this role, you will need:

  • A PhD or MSc in Computer Science, Machine Learning, Computational Chemistry, Bioinformatics, or a related discipline.
  • Hands-on experience in deep learning model development, ideally in a scientific or molecular domain.
  • Strong expertise in generative modeling (transformers, diffusion models, graph neural networks).
  • Experience with 3D geometric deep learning for molecular structures (SE(3)-equivariant architectures).
  • Proficiency in reinforcement learning (policy gradients, model-based RL, quality-diversity search).
  • Strong programming skills in Python with frameworks like PyTorch or TensorFlow.
Benefits

You will have the opportunity to work with cutting-edge molecular AI tools and direct structural chemistry input from our Ligand Design Lead. Your models will power a proprietary agentic search system designed to explore the chemical universe faster and smarter than competitors.

Why This Role Matters

This position offers the chance to contribute to groundbreaking research and development in the field of artificial intelligence and machine learning.