Garrett M. Morris
@garrettmm.bsky.social
Physicochemical deep learning, protein-ligand docking and scoring, computer-aided drug discovery and design, cheminformatics. All views my own. @morrislab@fediscience.org 🏳️🌈🇪🇺
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
Communications Chemistry@commschem.nature.com · last yr.Just out: Narrowing the gap between machine learning scoring functions and free energy perturbation using augmented data
This International Women's Day, we proudly recognise the amazing women in OPIG and all their exceptional work and achievements
