matteoferla/molecular_rectifier
Given an RDKit molecule that does not sanitise, correct it until it does
PythonMIT
Stargazers
- 0x1orzXTU
- anabimanNew York, USA
- bjodah
- chupvlPhiladelphia, USA
- CoryKornowicz
- dehaenwPraha
- dreadlesssNational Institutes for Food and Drug Control
- eereenah-fast
- gabegomes
- HanMengyingChinese academy of science
- harryjubbCresset Biomolecular Discovery
- hcjiAgricultural Genomics Institute at Shenzhen-CAAS
- HiteSit
- jchoderaMemorial Sloan Kettering Cancer Center
- lifeixianshenDDDC
- LouieSlocombeArizona State University
- maabuu
- marcosfelt@Merck
- martimunicoy@nostrumbiodiscovery
- mawansuiStrasbourg, France
- mcs07@DEShawResearch
- ppxasjsmUniversity of Edinburgh
- reskyner@xchem
- RMeli@eth-cscs
- rvianelloItaly
- sailfish009freelancer
- sandipgiri576IIT Kharagpur
- SethCBM
- suan12
- WDerricotteAtlanta, GA
- wenyan4work@flatironinstitute
- wiedermOpen Molecular Software Foundation
- wutobiasFrankfurt, Germany
- wwang2@generatebio
- Yliu566Shanghai