Senior Scientist AI/ML (Small Molecule Therapeutics)

What you'll do

• Develop and evaluate ML models to enhance design, prioritization, and hypothesis testing in drug discovery projects.
• Work with chemists to translate computational insights into clear design recommendations for small molecule therapeutics.
• Track model performance on active programs, identify failure modes, and propose improvements for AI/ML technologies.
• Deploy ML models into scalable production environments and maintain computational workflows with IT teams.
• Maintain state-of-the-art ADMET models by training, deploying at scale, and collaborating with key stakeholders.

What we're looking for

• PhD and 2+ years of relevant research experience in ML applications to chemistry or materials science.
• Strong knowledge of deep learning architectures for chemistry and structural biology.
• Proficiency in Python and ML frameworks like PyTorch, TensorFlow, or JAX.
• Expertise in cheminformatics toolkits such as RDKit, OpenEye, or Schrödinger.
• Experience with geometric deep learning, generative chemistry methods, and large-scale molecular modeling.