Projects in Awesome Lists tagged with chemical-informatics
A curated list of projects in awesome lists tagged with chemical-informatics .
https://github.com/shahram-boshra/qm9_tpsa
TPSA-augmented QM9 GNN
chemical-informatics gnn graph-convolutional-networks machine-deep-learning molecular-graph-neural-networks molecular-graphs python pytorch pytorch-geometric qm9-dataset rdkit rdkit-chem tpsa
Last synced: 13 Apr 2025
https://github.com/shahram-boshra/g_reg_qm9
Molecular Graphs QM9 Graph-level Regression GNN
chemical-informatics deep-learning gnn graph-convolutional-networks graph-level-regression graph-neural-networks machine-learning molecular-graphs molecular-property-prediction python pytorch pytorch-geometric qm9-dataset rdkit rdkit-chem
Last synced: 13 Apr 2025