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Projects in Awesome Lists tagged with qspr

A curated list of projects in awesome lists tagged with qspr .

https://github.com/ecrl/ecnet

QSPR-based machine learning for fuel property prediction

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

Last synced: 21 Nov 2024

https://github.com/jacksonburns/fastprop

Fast Molecular Property Prediction with mordredcommunity

chemistry machine-learning qspr

Last synced: 01 Nov 2024

https://github.com/nanxstats/logd74

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

cheminformatics chemometrics dataset drug-discovery qsar qspr

Last synced: 16 Nov 2024