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 clinical sources.
Ensure reproduci

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