Position Overview
We are seeking a highly skilled and motivated Team Leader with expertise in 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
o Lead, mentor, and grow a team of AI scientists, computational chemists, and data engineers.
o Define research strategy and align project milestones with organizational drug discovery goals.
o Collaborate with medicinal chemists, biologists, and clinicians to integrate AI solutions into discovery pipelines.
o 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.
o Utilize computational chemistry techniques (docking, molecular dynamics, QSAR, free energy perturbation, ADME / Tox modeling) to validate AI predictions.
o Design workflows combining AI + physics-based methods to accelerate candidate selection.
o Stay current with advancements in AI for drug discovery, cheminformatics, and molecular simulations.
o Act as a bridge between computational and experimental teams to ensure smooth translation of AI insights into laboratory validation.
o Collaborate with external partners, academic institutions, and consortia.
o Present findings and strategy updates to leadership, stakeholders, and scientific committees.
o Oversee data management, curation, and integration from chemical, biological, and clinical sources.
o Ensure reproducibility, scalability, and regulatory compliance in AI-driven workflows.
o Drive publications, patents, and intellectual property creation in the AI drug discovery space.
Qualifications
o 7+ years of experience in AI / ML for drug discovery or computational chemistry, including at least 2–3 years in a leadership role.
o Strong track record of applying deep learning models (transformers, GNNs, generative models) to drug discovery problems.
o Experience with drug design platforms, cheminformatics toolkits (RDKit, OpenEye, Schrodinger, MOE), and molecular simulation software.
o Proven ability to manage multi-disciplinary teams and deliver on complex R&D projects.
o Expertise in Python, PyTorch / TensorFlow, Scikit-learn, DeepChem.
o Strong background in computational chemistry methods and molecular modeling.
o Knowledge of cloud computing (AWS, GCP, Azure) and high-performance computing environments.
o Strong leadership, project management, and mentoring abilities.
o Excellent communication and collaboration skills.
o Strategic mindset with a passion for innovation in healthcare.
Preferred Attributes
High Salary • Ahmedabad, Gujarat, India