choderalab/yank
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
PythonMIT
Watchers
- andrrizziForschungszentrum Juelich / Italian Institute of Technology
- ashes88
- bieniekmateuszUK
- devwolffEarth
- dpradaHospital Infantil de México Federico Gómez.
- eemailme
- fjclarkThe University of Edinburgh
- hadimValence Labs
- hannahbrucemacdonaldChodera Lab // MSKCC
- HershGupta404
- jchoderaMemorial Sloan Kettering Cancer Center
- jhcloos
- leeping
- LilDojdAbu Dhabi
- Lnaden@MolSSI at Virginia Tech
- LucelenieMemorial Sloan Kettering Cancer Center
- miretchin
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- quantaosunUNSW, Sydney
- s-e-schneider
- sonyahanson
- steven-albanese@choderalab
- sukritsingh@choderalab @foldingathome
- wiedermOpen Molecular Software Foundation