September 25, 2025·J. Chem. Inf. Model.
Upsampling the Signal: Active Learning with Proxy Spaces
A breakdown of ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation
we built an ai steering system for molecular design that efficiently guides a generative model to invent potent, protein-specific molecules, even rediscovering existing drugs from scratch
researchMLgenerative-modelsdrug-design