reymond-group/drfp
An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.
Jupyter NotebookMIT
Stargazers
- 2019mohamedProteinea
- aigulkhkmv@biocad
- alxpks
- aminemosbahFreelance
- austin-mrozImperial College London
- chrulm
- CreamyLong
- cthoyt@northeastern
- DachuanZhang-FutureFoodSwitzerland
- daenuprobstSwitzerland
- ddomingof@enveda
- diegovalenzuelaiturra@TeselaGen
- ensemble-learningCalifornia Institute of Technology
- kjappelbaumEPFL
- kshefchek@myhelix
- longkunxulukeSamsung
- MartinElsElstner Analytics GmbH
- momo-707
- ogawan
- pgg1610Indianapolis, Indiana
- pschwllrEPFL
- puckvgEPFL
- ravigv
- retrometanet
- rnaimehaom
- sandipgiri576IIT Kharagpur
- shijiale0609MIT
- sitanshubhunia
- ThiagoReschutzeggerSanta Maria, RS, Brazil
- victoriendelannee
- wenhao-gaoCambridge, MA
- whiteadUniversity of Rochester//FutureHouse
- Ye-Buehler@reymond-group
- Yeungdb
- zdk123United States
- zhifeng88