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MobleyLab
drug-computing MobleyLab
44
146
cc-by-4.0
9
Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
python docking solubility monte-carlo drug-discovery ligand-screening molecular-dynamics teaching-materials educational-software molecular-dynamics-simulation
Created 2017-10-21
526 commits to master branch, last one 9 months ago
rxdock
rxdock rxdock
19
68
other
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RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on Gi...
cxx cxx11 python docking python3 drug-discovery ligand-screening molecular-docking virtual-screening protein-ligand-docking protein-drug-interactions protein-ligand-interfaces protein-ligand-interactions protein-ligand-binding-conformation
Created 2019-06-26
151 commits to master branch, last one 2 years ago