robert
Cheminformatics toolkit
Automated machine learning protocols for cheminformatics using Python
Automated machine learning protocols that start from CSV databases of descriptors or SMILES and produce publication-quality results in Chemistry studies with only one command line.
38 stars
3 watching
6 forks
Language: Python
last commit: 16 days ago
Linked from 1 awesome list
automationcheminformaticsmachine-learningpythonreproducibilityscikit-learnworkflows
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