yet another ChemClassifier (Python based on wikibase-cli and rdkit)
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Feb 28, 2022 - Python
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smarts
Here are 10 public repositories matching this topic...
A toolkit for working with coarse-grain systems
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Dec 17, 2025 - Python
A toolkit for data-driven force field design based on binary-encoded SMARTS
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May 6, 2025 - Python
This package was designed to obtain desmiled, destriped and georeferenced reflectance images from Hyperion imagery.
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Dec 13, 2022 - Python
A Streamlit app to visualize and apply SMARTS patterns
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Jun 27, 2025 - Python
Command-line utility to generate iterations of the PFASSTRUCT lists based on a fraction-fluorine and/or substructure-based definition as in the publication "A proposed approach to defining per- and polyfluoroalkyl substances (PFAS) based on molecular structure and formula" (Gaines et al. 2023)
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Apr 9, 2025 - Python
Repository about chemicals, chemical classes, their relations, and wikidata
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Dec 1, 2025 - Python
Repository about chemicals, chemical classes, their relations, and wikidata
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Dec 14, 2025 - Python
Automatic generation of AIOMFAC model input files based on molecular component SMILES
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Oct 1, 2025 - Python
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