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Search results for machine learning molecular descriptors
machine-learning
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molecular-descriptors
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2 search results found
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.
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