Pinned Repositories
catalystGA
cclib
Parsers and algorithms for computational chemistry logfiles
confgen
Generate Conformers in RDKit
GB-GA
Graph-based genetic algorithm
ppqm
Enable cheminformatics and quantum chemistry
rdkit
The official sources for the RDKit library
submit2slurm
tool-toad
rdkit
The official sources for the RDKit library
juius's Repositories
juius/confgen
Generate Conformers in RDKit
juius/catalystGA
juius/cclib
Parsers and algorithms for computational chemistry logfiles
juius/GB-GA
Graph-based genetic algorithm
juius/ppqm
Enable cheminformatics and quantum chemistry
juius/rdkit
The official sources for the RDKit library
juius/submit2slurm
juius/tool-toad