rxn4chemistry/rxnmapper
RXNMapper: Unsupervised attention-guided atom-mapping. Code complementing our Science Advances publication on "Extraction of organic chemistry grammar from unsupervised learning of chemical reactions" (https://advances.sciencemag.org/content/7/15/eabe4166).
PythonMIT
Stargazers
- ardcore@molecule-one
- asarigunBerlin Institute for Medical Systems Biology
- aswin-giridharNovartis
- autodatamingSIMM
- baba-hashimoto
- benhadad
- bhoovIBM Research, GA Tech
- Birdlet
- C-nit@IBM Research
- denisfitz57
- diegovalenzuelaiturra@TeselaGen
- DongqiangHe
- eash268
- egilber2
- EulerianialAmsterdam, The Netherlands
- fly51flyPRIS
- gfrogat
- greatlseshanghai, China
- Hanjun-DaiGoogle
- inoue0426Bethesda, MD
- iwatobipenDaiichi-Sankyo
- jgmizeTulsa, OK
- joergkurtwegnerCambridge, MA, US
- ldanduo
- lilluxItaly
- mengliu1998Texas A&M University
- mengtinghuang
- mfilipavZürich Switzerland
- pschwllrEPFL
- SeongokRyuGALUX
- seyonechithrananda@doudnalab | @deepchem
- sishida21Yokohama City University
- udapyHome Depot
- WesleyyCplanet earth
- yobcmst
- zhwenchaserUniversity of Amsterdam