qspr topic

List qspr repositories

QSPRpred

43
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7
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A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.

ecnet

16
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7
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QSPR-based machine learning for fuel property prediction

logd74

17
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9
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A high-quality hand-curated logD7.4 dataset of 1,130 compounds

fastprop

23
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4
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Fast Molecular Property Prediction with mordredcommunity

bayesian-flow-network-for-chemistry

27
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4
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27
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ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.