isayev/ANI1_dataset
A data set of 20 million calculated off-equilibrium conformations for organic molecules
PythonMIT
Stargazers
- aswinkumar1999UW Madison
- bannancOpenEye, Cadence Molecular Sciences
- blaiszik
- brandonkrull@amp-community
- charlesxjyangSan Francisco, California
- crack521
- cuanto
- edwinb-aiUtrecht, Netherlands
- erbas
- EricGT
- fdroesslerIsomorphic Labs
- geekinglcq
- gusarovs
- Hanjun-DaiGoogle
- HenriqueCSJUFRGS
- jchoderaMemorial Sloan Kettering Cancer Center
- jidiazhernandezFujitsu
- jonahkall
- justinGilmerPingThings
- kadengMeta Inc.
- m-andreeva
- m-pedroAI, Machine Learning, AGI
- MOSNPDEV
- mpwallerPending.AI
- olivier6088
- ramess101Los Alamos National Laboratory
- robinzybEPFL
- salotz@examol-corp
- sckavassalis
- sidneypaulymerSan Leandro, CA
- theGreenJediLos Angeles
- willw625731
- xuguodong1999@Tencent
- yufenghuang
- zhujunmianUniversity of California, Berkeley
- zjing7UT Austin