Projects in Awesome Lists tagged with molecular-graphs
A curated list of projects in awesome lists tagged with molecular-graphs .
https://github.com/akensert/molgraph
Graph neural networks for molecular machine learning. Implemented and compatible with TensorFlow and Keras.
bioinformatics cheminformatics deep-learning graph-algorithms graph-neural-networks graphs keras molecular-graphs tensorflow
Last synced: 21 Nov 2024
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
https://github.com/shahram-boshra/e_class
(Molecular Graphs Edge-level Classification GNN
edge-level-classification gnn graph-neural-networks molecular-graphs molecular-graphs-neural-network python pytorch pytorch-geometric
Last synced: 28 Mar 2025
https://github.com/shahram-boshra/n_class
Molecular Graphs Node-level Classification GNN
gnn graph-neural-networks molecular-graphs node-level-classification python python-geometric pytorch
Last synced: 28 Mar 2025