choderalab/yank
An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.
PythonMIT
Stargazers
- amarsh1University of Warwick
- andrrizziForschungszentrum Juelich / Italian Institute of Technology
- AngelRuizMorenoUniversity of Leiden
- cescginaRed Hat
- cxhernandez@facebookresearch
- davidlmobleyUniversity of California, Irvine
- dotsdlDatryllic LLC
- dpradaHospital Infantil de México Federico Gómez.
- earnoult
- evanbiederstedt
- farhadrgh@NVIDIA
- fsimkovicLondon
- fuulish
- hjuinj
- HubLotCNRS
- james42United States
- jariwalask
- jchoderaMemorial Sloan Kettering Cancer Center
- jeirosSpain
- kudkudakWarsaw
- leeping
- ljmartinsydney
- Lnaden@MolSSI at Virginia Tech
- lorenzoantonini
- maxentileRelay Therapeutics
- ostrokachUniversity of Toronto
- pkesteneCEA
- ppxasjsmUniversity of Edinburgh
- rafwiewioraChodera Lab // MSKCC
- rfieldhouseMemorial Sloan Kettering Cancer Center
- ryancoleman
- sanasaeed
- smsaladi@NeelyxLabs
- spadavecInterlinked Therapeutics
- TomCorwineNew York, NY
- yuhangwang