Top 3 molecular-descriptors open source projects
Rcpi
Molecular informatics toolkit with a comprehensive integration of bioinformatics and cheminformatics tools for drug discovery.
whales descriptors
python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors
padelpy
A Python wrapper for PaDEL-Descriptor software
1-3 of 3 molecular-descriptors projects