muCommons

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5 repositories

NistChemPy
Public
Unofficial Python tools for querying NIST Chemistry WebBook pages and extracting molecular-property records.
python chemistry cheminformatics
python chemistry cheminformatics data-extraction physical-chemistry spectral-data chemical-data gas-chromatography mass-spectra infrared-spectra
Python
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MIT License
•7•57•6•0•Updated May 20, 2026May 20, 2026
.github
Public
0•0•0•0•Updated May 20, 2026May 20, 2026
NistChemData
Public
A repository for physico-chemical data extracted from the NIST Chemistry WebBook
Python
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Other
•2•18•0•0•Updated May 20, 2026May 20, 2026
ILThermoPy
Public
Unofficial Python client for ILThermo 2.0 with SMILES-enriched ionic-liquid data for cheminformatics, thermodynamics, and ML workflows.
nist machine-learning cheminformatics
nist machine-learning cheminformatics thermodynamics chemical-data molecular-descriptors ionic-liquids scientific-python ilthermo
Python
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MIT License
•1•13•1•0•Updated May 16, 2026May 16, 2026
molsemble
Public
Python toolkit for reproducible molecular-ensemble and quantum-chemistry workflow orchestration.
Python
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Other
•0•0•0•0•Updated May 15, 2026May 15, 2026

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