juius

Copenhagen

Pinned Repositories

catalystGA
Language:Python1 1 01
cclib
Parsers and algorithms for computational chemistry logfiles
Language:Python0 0 00
confgen
Generate Conformers in RDKit
Language:Python2 1 00
GB-GA
Graph-based genetic algorithm
Language:Python0 0 00
ppqm
Enable cheminformatics and quantum chemistry
Language:Python0 0 00
rdkit
The official sources for the RDKit library
Language:HTML0 0 00
submit2slurm
Language:Shell0 1 00
tool-toad
Language:Python0 1 00
rdkit
The official sources for the RDKit library
Language:HTML2.6k 82 3.2k861

juius's Repositories

juius/confgen
Generate Conformers in RDKit
Language:Python2 1 00
juius/catalystGA
Language:Python1 1 01
juius/cclib
Parsers and algorithms for computational chemistry logfiles
Language:Python0 0 00
juius/GB-GA
Graph-based genetic algorithm
Language:Python0 0 00
juius/ppqm
Enable cheminformatics and quantum chemistry
Language:Python0 0 00
juius/rdkit
The official sources for the RDKit library
Language:HTML0 0 00
juius/submit2slurm
Language:Shell0 1 00
juius/tool-toad
Language:Python0 1 00