Manager – AI/ML (Machine Learning, Deep Learning and Computational Chemistry)

Experience – 10+ Years

Position Overview

We are seeking a highly skilled and motivated Manager with expertise in AI/DL/ML, AI-driven drug discovery, deep learning, and computational chemistry to lead a cross-disciplinary research team. The successful candidate will guide the design, development, and application of advanced AI/ML models for accelerating drug discovery, molecular design, and therapeutic development. This role requires both technical leadership and strategic vision to drive innovation in pharmaceutical R&D.;

Key Responsibilities

• Leadership & Strategy
• Lead, mentor, and grow a team of AI scientists, computational chemists, and data engineers.
• Define research strategy and align project milestones with organizational drug discovery goals.
• Collaborate with medicinal chemists, biologists, and clinicians to integrate AI solutions into discovery pipelines.
• Research & Development
• Develop and apply cutting-edge deep learning models (e.g., graph neural networks, generative models,



foundation models) for molecular property prediction, de novo drug design, and protein–ligand interactions.
• Utilize computational chemistry techniques (docking, molecular dynamics, QSAR, free energy perturbation, ADME/Tox modeling) to validate AI predictions.
• Design workflows combining AI + physics-based methods to accelerate candidate selection.
• Stay current with advancements in AI for drug discovery, cheminformatics, and molecular simulations.
• Collaboration & Communication
• Act as a bridge between computational and experimental teams to ensure smooth translation of AI insights into laboratory validation.
• Collaborate with external partners, academic institutions, and consortia.
• Present findings and strategy updates to leadership, stakeholders, and scientific committees.
• Operational Excellence
• Oversee data management, curation, and integration from chemical, biological, and cli

📌 Manager – AI/ML (Ahmedabad)
🏢 Topia Life Sciences
📍 Ahmedabad