aiqm/ANI1x_datasets
The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for organic molecules.
HTMLMIT
Stargazers
- ahzeeshanTexas Tech University
- blaiszik
- bluehopeKangwon National University
- CanisW
- clecust
- dingye18Hangzhou, China
- dominikusbrianDreamBrook Tech
- EipgenEast China Normal University @ecnu
- githubningyuan
- helmutweckeUniversität Bremen
- isayevCarnegie Mellon University
- jchoderaMemorial Sloan Kettering Cancer Center
- jeherr
- jennieningData Scientist
- js7520707
- kevingreenmanMIT
- khuddzuUniversity of Florida
- KoffeePhysicist
- leelasdYale University
- lmacayaQuantum Chemistry and Molecular Modeling group (QCMM)
- mattwelborn
- maxentileRelay Therapeutics
- MrqeoqqtUniversity of Wisconsin-Madison
- niklasbt
- qcxia20NIBS (National Institute of Biological Sciences)
- RMeli@eth-cscs
- rohithmohanCalifornia
- semodiD. E. Shaw Research
- shuaijiang-ustc
- spozdnEPFL
- thj2009Lehigh University
- wiedermOpen Molecular Software Foundation
- willw625731
- xiaotingzhong
- yatliMicrosoft
- yueyericardoUniversity of Florida