conda-forge.org : transformato
Transformato is a tool that creates files for mutating one ligand into another (relative binding free energy). The created files are used to run MD simulations and calculate the resulting free energy differences.
Registry
-
Source
- JSON
- codemeta.json
purl: pkg:conda/transformato?repository_url=https://conda-forge.org
Keywords:
charmm-gui
, free-energy-calculations
, openmm
License: MIT
Latest release: over 3 years ago
First release: over 3 years ago
Stars: 18 on GitHub
Forks: 6 on GitHub
Total Commits: 962
Committers: 16
Average commits per author: 60.125
Development Distribution Score (DDS): 0.549
More commit stats: commits.ecosyste.ms
See more repository details: repos.ecosyste.ms
Last synced: about 1 month ago