PrototypeCommon
choderalab/yank
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
- Owner
- choderalab (organization)
- Stars
- Stars: 203
- Forks
- Forks: 73
- Language
- Python
- License
- MIT
- Created
- 2013
- Topics
- molecular-dynamicsmolecular-dynamics-simulationalchemical-free-energy-calculationsdrug-discoveryfree-energyopenmmmskccpythonalchemicalfree-energy-perturbation
- Tier
- Prototype (100 to 249 ★) What this tier means
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