https://github.com/stefan-schroedl/molecule_classification

"Auto-sklearn for chemistry" - train and run machine-learned classifiers for molecular classification tasks.
https://github.com/stefan-schroedl/molecule_classification

automatic automl cheminformatics chemistry chemoinformatics hyperparameter-optimization machine-learning molecule python rdkit scikit-learn

Last synced: about 2 months ago
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"Auto-sklearn for chemistry" - train and run machine-learned classifiers for molecular classification tasks.

• Host: GitHub
• URL: https://github.com/stefan-schroedl/molecule_classification
• Owner: stefan-schroedl
• Created: 2018-08-24T23:28:13.000Z (over 6 years ago)
• Default Branch: master
• Last Pushed: 2018-10-22T04:15:57.000Z (about 6 years ago)
• Last Synced: 2023-02-26T09:25:59.419Z (almost 2 years ago)
• Topics: automatic, automl, cheminformatics, chemistry, chemoinformatics, hyperparameter-optimization, machine-learning, molecule, python, rdkit, scikit-learn
• Language: Python
• Homepage:
• Size: 188 KB
• Stars: 4
• Watchers: 2
• Forks: 0
• Open Issues: 0

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