ashtawy / gypsum_dl Goto Github PK
View Code? Open in Web Editor NEWThis project forked from durrantlab/gypsum_dl
Gypsum-DL is a free, open-source program that converts 1D and 2D small-molecule representations (SMILES strings or flat SDF files) into 3D models. It outputs models with alternate ionization, tautomeric, chiral, cis/trans isomeric, and ring-conformational states.
Home Page: https://durrantlab.pitt.edu/gypsum-dl/
License: Apache License 2.0