molecular-descriptors topic
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molecular-descriptors repositories
padelpy
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A Python wrapper for PaDEL-Descriptor software
Rcpi
35
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12
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💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery
whales_descriptors
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python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors