NeoChemSynthWave

All

6 repositories

data-source
Public
The computer-assisted chemical synthesis data source project.
data database zinc dataset data-source chemoinformatics uspto chemical-reactions chembl ord
Python
•
MIT License
•0•2•0•0•Updated Nov 15, 2024Nov 15, 2024
ncsw-data
Public
The NeoChemSynthWave: Data project.
chemoinformatics
Python
•
MIT License
•0•3•0•0•Updated Aug 26, 2024Aug 26, 2024
atom-to-atom-mapping
Public
The chemical reaction compound atom-to-atom mapping project.
indigo chemoinformatics chemical-reactions atom-mapping rxnmapper chytorch-rxnmap atom-to-atom-mapping local-mapper
Python
•
MIT License
•0•3•1•0•Updated Jul 31, 2024Jul 31, 2024
ncsw-chemistry
Public
The NeoChemSynthWave: Chemistry project.
rdkit chemoinformatics chemical-reactions chemical-compounds retrosynthesis chemical-synthesis rdchiral synthesizability retrosynthetic-analysis synthetic-accessibility
Python
•
MIT License
•1•1•0•0•Updated Jul 27, 2024Jul 27, 2024
ncsw-model
Public
The NeoChemSynthWave: Model project.
chemoinformatics
Python
•
MIT License
•0•1•0•0•Updated Jul 27, 2024Jul 27, 2024
ncsw
Public
The NeoChemSynthWave project.
chemoinformatics
Python
•
MIT License
•0•1•0•0•Updated Jul 27, 2024Jul 27, 2024