/tools/py4chemoinformatics

py4chemoinformatics

Mishima-syk/py4chemoinformatics

232 stars91 forksJupyter NotebookAdded February 4, 2026
summary

The 'py4chemoinformatics' repository provides resources and tools for chemoinformatics, including methods for predicting molecular properties, generating chemical structures, and utilizing machine learning techniques in molecular design and analysis. It serves as a comprehensive guide for researchers in the field.

description

Python for chemoinformatics

topics

chemoinformaticsscikit-learncheminformaticspythonrdkitjupyter

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