alchemiscale: a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home
forked from OpenFreeEnergy/alchemiscale
-
Notifications
You must be signed in to change notification settings - Fork 0
protein-ligand alchemical free energy calculations via Folding@Home
License
hmacdope/alchemiscale
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
About
protein-ligand alchemical free energy calculations via Folding@Home
Resources
License
Stars
Watchers
Forks
Releases
No releases published
Languages
- Python 99.5%
- Dockerfile 0.5%