OpenFreeEnergy/alchemiscale
a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home
PythonNOASSERTION
Stargazers
- akalpokasEdinburgh
- bolak92Johnson & Johnson and Leiden University
- chrisjonesBSUBoise State University
- czabriskieZONTAL
- dingye18Beijing, China
- dotsdlDatryllic LLC
- egtai
- fjclarkThe University of Edinburgh
- hmacdopeOpenADMET / @omsf
- IAlibayThe Open Molecular Software Foundation
- ianmkenneyPhoenix, Arizona
- j-wags@openforcefield @omsf
- jandomCHARM-Tx
- JenkeScheenASAP / OMSF
- jgreener64MRC Laboratory of Molecular Biology
- jthorton@OpenFreeEnergy
- kate-fieUniversity of Oxford
- LilDojdAbu Dhabi
- marcomHamburg
- nschlemmcoder nostra GmbH
- pallavsen007IIT Guwahati
- pavankumIrvine
- WaztomDiamond Light Source
- wiedermOpen Molecular Software Foundation