Genesis Molecular AI
Staff ML Research Engineer
June 2020 — Present
Selected work
Molecular generation
Built the original React molecular-design platform from the ground up, then developed and deployed a conditional molecular generation model. The platform was subsequently used for 1,000+ virtual screens, with 700+ generated compounds tested across eight programs.
Structure prediction
Worked on diffusion-based molecular docking and water-aware Pearl, owning data-pipeline and model updates, loss changes, and optimization. Coauthor of the Pearl arXiv preprint.
Predictive models
Developed GNNs for molecular-property prediction. Improved multitask ADME models, reducing aggregate prediction error by 16% across nine endpoints on an external benchmark.
Research tools
Built a React, Flask, and PostgreSQL experiment dashboard used daily by researchers. Made large experiment histories load an order of magnitude faster.