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qspr

Here are 5 public repositories matching this topic...

mizu-bai / Img2Mol-miniCDDD-ncnn

cv chemoinformatics qspr ncnn

Updated Nov 20, 2023
Python

bayesian-flow-network-for-chemistry

Augus1999 / bayesian-flow-network-for-chemistry

ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks.

machine-learning chemistry cheminformatics transformer generative-model qsar qspr bayesian-flow-networks

Updated Oct 11, 2024
Python

jeffrichardchemistry / pyCheckmol

Application for detecting functional groups of a molecules.

chemistry cheminformatics qsar qspr chemistry-development-kit

Updated Jul 17, 2023
Python

JacksonBurns / fastprop

Fast Molecular Property Prediction with mordredcommunity

machine-learning chemistry qspr

Updated Oct 24, 2024
Python

ecrl / ecnet

QSPR-based machine learning for fuel property prediction

machine-learning neural-network pytorch computational-chemistry qspr fuel-property-prediction cetane-number

Updated Aug 29, 2024
Python

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