rxn4chemistry/rxnfp
Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space of chemical reactions using attention-based neural networks" (http://rdcu.be/cenmd).
HTMLMIT
Stargazers
- AcademichSwiss AI lab IDSIA
- antadlp
- ardeat
- bergazin@MobleyLab
- christinadebruynkops
- craldaz
- cyrushuYuXinShuo Biotech LTD.
- DongqiangHe
- ericmjl@modernatx
- FanwangMQueen's University
- fly51flyPRIS
- francisglee@Peptilogics
- frsspSamsung Advanced Institute of Technology
- gabegomes
- hammer
- jangerit
- jplasserLinz, Austria
- jugoetzETH Zürich
- karmafeastBerkeley, CA
- laurencecaoShanghai
- manajit-das
- marcosfelt@Merck
- Minui11
- mjwenUniversity of Houston
- njbamboo
- prcurranPharmenable
- pschwllrEPFL
- ralexchu
- rbharath@deepforestsci
- rociomerChalmers University of Technology
- seyonechithrananda@doudnalab | @deepchem
- TalhaKarabiyikTürkiye
- ThiagoReschutzeggerSanta Maria, RS, Brazil
- UnixJunkieCompany
- wudangtNope~
- Yotta-private