CSIO-FPIL/Dense-Sense-ODOR

Official implementation of "DENSE SENSE : A novel approach utilizing electron density augmented machine learning paradigm to understand complex odour landscape"

语言：Jupyter Notebook · GitHub 星标：4 · Fork：0

话题：cheminformatics · dmpnn · electron-density · graph-neural-networks · localized-delocalized-matrix · message-passing-neural-network · olfaction · quantum-chemistry

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