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Search results for python molecular descriptors
molecular-descriptors
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python
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5 search results found
Padelpy
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146
A Python wrapper for PaDEL-Descriptor software
Whales_descriptors
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22
python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors
Spms
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10
A Molecular Stereostructure Descriptor based on Spherical Projection
Spoc
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8
An integrated Python package for molecular descriptor generation, data processing, model training, and hyper-parameter optimization.
Qed
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8
The QED (Quantitative Estimation of Drug-likeness) molecular descriptor to use in combination with RDKit
Alvadescpy
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7
A Python wrapper for alvaDesc software
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