PrototypeCommon
choderalab/perses
Experiments with expanded ensembles to explore chemical space
- Owner
- choderalab (organization)
- Stars
- Stars: 204
- Forks
- Forks: 52
- Language
- Python
- License
- MIT
- Created
- 2014
- Topics
- molecular-designpythonmolecular-dynamicsfree-energy-perturbationsimulationexpanded-ensemblesopenmmrelative-free-energy
- Tier
- Prototype (100 to 249 ★) What this tier means
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