chemical-property-prediction

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ThomasCsson / MASSIVEChem

MASSIVEChem is a pip-installable package centred around mass spectrometry

chemistry cheminformatics chemical-engineering mass-spectrometry spectrometry chemistry-lab chemical-property-prediction cheminformatics-and-compchem

Updated Jul 17, 2024
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kareemjeiroudi / molecules_and_ml

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An online repository to access my bachelor project files wherever I go. However, this might be of interest to some bioinformaticians. For full description please refer to the README file.

scikit-learn rdkit keras-sequential-models chemical-property-prediction drug-toxicity

Updated Feb 21, 2020
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