Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
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Mar 4, 2025 - C++
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chemical-toolbox
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Scikit-learn compatible library for molecular fingerprints
python machine-learning bioinformatics chemistry cheminformatics scikit-learn chemoinformatics chemical-data chemical-toolbox
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Apr 6, 2025 - Python
proxy for accessing chemspider's API from node.js-express.js server.
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Sep 16, 2017 - JavaScript
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