/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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