2 results found Sort:

RMeli
gnina-torch RMeli
6
59
mit
3
🔥 PyTorch implementation of GNINA scoring function for molecular docking
gnina docking pytorch deep-learning drug-discovery pytorch-ignite scoring-functions
Created 2021-10-19
258 commits to main branch, last one 2 months ago
IFMlab
ChemFlow IFMlab
4
54
unknown
1
Computational Chemistry Workflows
mmgbsa mmpbsa docking workflow middleware scoring-functions computational-science computational-chemistry
Created 2017-07-28
875 commits to master branch, last one 2 years ago