Team Lead - Drug Discovery

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 · Leadership & Strategy 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. · Research & Development 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. · Collaboration & Communication 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. · Operational Excellence 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 · Education: PhD (preferred) or Master’s in Computer Science, Computational Chemistry, Cheminformatics, Bioinformatics, or related field. · Experience: 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. · Technical Skills: 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. · Soft Skills: 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 · Prior experience in pharma, biotech, or AI-driven drug discovery startups. · Publications/patents in AI drug discovery, deep learning in chemistry/biology, or computational drug design. · Understanding of regulatory and translational challenges in AI-enabled therapeutics.

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