/tools/laplaciannb

laplaciannb

rdkit/laplaciannb

GitHub
benchmarkcheminformaticstoolsmall-moleculeproperty-prediction
14 stars1 forksPythonAdded February 5, 2026
summary

LaplacianNB is a Python module for a Laplacian-modified Naive Bayes classifier optimized for binary/boolean molecular data. It integrates with RDKit for molecular fingerprint conversion and includes features for performance benchmarking and large-scale processing of molecular datasets.

description

LaplacianNB is a Python module developed at Novartis AG for Naive Bayes classifier for laplacian modified models based on scikit-learn Naive Bayes implementation.

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