Senior / Staff Applied Machine Learning Scientist

Insitro seeks an applied ML scientist to leverage their ChemML Platform for small molecule drug discovery. The role combines hands-on platform usage across therapeutic programs with direct contributions to ML model and platform development.

Key Responsibilities

• Train and finetune foundation chemistry AI models using ADMET/In Vivo PK datasets
• Develop generative AI and enumeration methods for multi-parameter optimization
• Collaborate with software engineering on active learning and automated optimization pipelines
• Shape the ChemML platform roadmap
• Work cross-functionally with chemists to design and prioritize compounds
• Apply predictive models to molecular optimization challenges

Requirements

• PhD in computational chemistry, computer science, ML, cheminformatics, or related field
• 3+ years applying machine learning to small molecule drug discovery
• Strong Python and deep learning framework expertise (PyTorch/TensorFlow)
• Demonstrated expertise in geometric deep learning or generative AI for small molecules
• Proficiency with 1-2 cheminformatics toolkits (RDKit, OpenEye, Schrödinger)
• Solid understanding of drug discovery processes (SAR, MPO, DMTL cycles, ADMET assays)