Work
Projects, grouped by domain.
Every project here is an R&D demonstration on public datasets, not client-confidential work. Open one for the method, the data source, and every metric’s caveats.
Drug discovery ML
R&D demonstration, public data · Mar 2026
Binding Affinity Prediction for Kinase Inhibitors
Ranking candidate kinase inhibitors by predicted binding affinity, ahead of assay screening, using a GNN trained on public ChEMBL data.
0.34 → 0.21
RMSE vs. baseline docking score
TODO-VERIFY — no published held-out split, baseline definition, or seed for this figure yet, and it isn't linked to a notebook or repo. Do not treat as a validated result until it is (CLAUDE.md §9/§10).
R&D demonstration, public data · Mar 2026
Generative Design of Fragment-Like Molecules
Expanding a small fragment library into novel, synthesizable candidates using a diffusion model trained on public ZINC20 fragment data.
61%
Generated molecules passing drug-likeness filters
TODO-VERIFY — the specific QED/synthetic-accessibility thresholds and evaluation set aren't published alongside this figure yet, and it isn't linked to a notebook or repo (CLAUDE.md §9/§10).