aspuru-guzik-group/selfies
Robust representation of semantically constrained graphs, in particular for molecules in chemistry
PythonApache-2.0
Stargazers
- 32nakamotoYokohama, Japan
- aced125
- anupammeUniversity of Edinburgh
- benjimaclellanInstitute for Quantum Computing
- charnleyPharma
- ChenChengKuanBoston, Massachusetts
- chrinide
- ctk3binsitro
- fly51flyPRIS
- hammer
- holeungAtomwise
- iwatobipenDaiichi-Sankyo
- k-ujiharaTakarazuka, Japan
- latticetower@kalininalab
- lewisacidicLondon, UK
- linguistbreakerColorado
- liwt31Tencent
- marinegorMoscow Institute of Physics and Technology, Laboratory for Advanced Studies of Membrane Proteins
- maxentileRelay Therapeutics
- mcs07@DEShawResearch
- MorganCThomasUniversitat Pompeu Fabra
- OaklightUniversity of Chicago
- pwroseSan Diego Supercomputer Center, UCSD
- RMeli@eth-cscs
- rouzbeh-afrasiabiNA
- sebdumancicDelft University of Technology
- smheidrichGermany
- SNWBRS
- tantrevBloomington, IN
- tgaudinZurich
- wujinkuiSichuan University
- XinhaoLi74Janssen
- xuanhan863Los Angeles, USA
- XuhanLiuLeiden University
- yjmaxpayneIHPC, A*STAR
- zhoudiNEUNortheastern university