Want to predict protein-ligand binding affinity? AEV-PLIG is available from github.com/isakvals/AEV..., 3-Clause BSD license; paper in Nature’s @commschem.bsky.social
Physicochemical deep learning, protein-ligand docking and scoring, computer-aided drug discovery and design, cheminformatics. All views my own. @morrislab@fediscience.org 🏳️🌈🇪🇺