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qspr

Here are 4 public repositories matching this topic...

ecrl / ecnet

QSPR-based machine learning for fuel property prediction

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

Updated Jun 18, 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 Jun 21, 2024
Python

mizu-bai / Img2Mol-miniCDDD-ncnn

cv chemoinformatics qspr ncnn

Updated Nov 20, 2023
Python

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