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rvianello / chemicalite

An SQLite extension for chemoinformatics applications.
https://chemicalite.readthedocs.org/en/latest/
BSD 3-Clause "New" or "Revised" License
55 stars 8 forks source link
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ChemicaLite

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An SQLite database extension for chemoinformatics applications. Store molecules and fingerprints, compute descriptors, run chemical queries on a chemical database.