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GitHub topics: chemical-informatics

shahram-boshra/qm9_tpsa

TPSA-augmented QM9 GNN

Language: Python - Size: 20.5 KB - Last synced at: 22 days ago - Pushed at: 23 days ago - Stars: 0 - Forks: 0

shahram-boshra/g_reg_qm9

Molecular Graphs QM9 Graph-level Regression GNN

Language: Python - Size: 20.5 KB - Last synced at: 22 days ago - Pushed at: 24 days ago - Stars: 0 - Forks: 0

Kimist99/test1 Fork of artemsheludko/flexible-jekyll

Kimberly D's chemical and health Informatics website of personal projects

Language: CSS - Size: 17.7 MB - Last synced at: about 2 years ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 0

Related Keywords
chemical-informatics 3 rdkit-chem 2 rdkit 2 qm9-dataset 2 pytorch-geometric 2 pytorch 2 python 2 molecular-graphs 2 graph-convolutional-networks 2 gnn 2 molecular-graph-neural-networks 1 machine-deep-learning 1 tpsa 1 deep-learning 1 graph-level-regression 1 graph-neural-networks 1 machine-learning 1 molecular-property-prediction 1 chemistry 1 data-analytics 1 data-science 1 health-informatics 1