graeter-group/grappa
A Machine Learned Molecular Mechanics Force Field with integration into GROMACS and OpenMM
PythonGPL-3.0
Stargazers
- AbdullahKazi500IBM
- akos-bio1
- AkosNyBoston, US
- ale94mleonUniversität des Saarlandes
- apaydinemreIstanbul, Turkey
- arindas@claritas-healthtech
- AspirinCodeYonsei University
- Bio-OttoMarmara University/ Computational Biology and Bioinformatics Lab
- CCSun21Xidian University
- dingye18Hangzhou, China
- ehhartmann
- EipgenEast China Normal University @ecnu
- florpiMIT
- jmbuhrHeidelberg University; HITS gGmbH
- JonathanHungerlandQuantBioLab, University of Oldenburg
- KRiedmiller
- KYU49Japan
- leelasdYale University
- lmacayaQuantum Chemistry and Molecular Modeling group (QCMM)
- maxentileRelay Therapeutics
- mitkotak
- mrauha
- mukherjeesutanuindia
- ncyx
- noumanistic
- pablo-arantesUniversity of California,
- purnawanppIndonesia
- recisicMIT
- rkakamilanJapan
- wenyan4work@flatironinstitute
- ytworks
- zg13cornell616 Thurston Ave., Ithaca, NY