openforcefield/openff-toolkit
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
PythonMIT
Stargazers
- andrrizziForschungszentrum Juelich / Italian Institute of Technology
- bdelepineLyon | France
- bieniekmateuszUK
- ChayaSt@rahko-ai
- ctk3binsitro
- dingye18Hangzhou, China
- dpradaHospital Infantil de México Federico Gómez.
- emarinriUniversity of Notre Dame
- farisfizalCanada
- FHedinQubit Pharmaceuticals
- gf712Microsoft
- hjuinj
- isayevCarnegie Mellon University
- jaimergp@quansight
- jchoderaMemorial Sloan Kettering Cancer Center
- justinGilmerPingThings
- levipierce
- Marcello-SegaUniversity College London
- maxentileRelay Therapeutics
- mixcohaCONACYT
- mpurgSweden
- mwojcikowski@merckgroup
- nilcm10
- rafwiewioraChodera Lab // MSKCC
- ramess101Los Alamos National Laboratory
- ravila4@empiricotx
- salotz@examol-corp
- shafferprLongmont, CO
- shivupaUniversity of Pittsburgh
- smrjansTalentica
- tmfs10Cambridge, MA
- tudorgtStanford University
- UnixJunkieThe University of Tokyo
- wiedermOpen Molecular Software Foundation
- yjmaxpayneIHPC, A*STAR
- zhaidongplus