/tools/mol_property
mol_property
TVect/mol_property
24 stars11 forksPythonAdded February 8, 2026
summary
The 'mol_property' repository provides tools for predicting pKa and other molecular properties from chemical structures using machine learning techniques. It also includes functionalities for calculating various molecular properties and assessing molecular similarity.
description
Prediction of pKa from chemical structure using machine learning approaches，molecular similarity and so on
topics
mol-propertymol-similaritypka-predictions
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