senya-ashukha / simple-equivariant-gnn Star 124 Code Issues Pull requests A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks deep-neural-networks deep-learning pytorch neural-networks homo molecules graph-neural-networks gnn equivariance qm9 egnn Updated Jan 14, 2022 Python
raghurama123 / qm9pack Star 9 Code Issues Pull requests A Python package for data-mining the QM9 dataset computational-chemistry qm9 Updated Jul 11, 2024 Python
Shreyas-Bhat / MolPropPred Star 7 Code Issues Pull requests Predicting properties of small molecules using MPNN on QM9 dataset gnn property-prediction qm9 mpnn Updated Feb 16, 2024 Jupyter Notebook
rmongeca / gnn Star 4 Code Issues Pull requests Graph Neural Network creation module, implemented in Tensorflow 2 with examples using the module and the iGNNition library for fast GNN prototyping. tensorflow graphs quantum-chemistry graph-convolutional-networks gnn graph-neural-network quantum-chemistry-qm9 radio-resource-management scalable-radio-resource qm9 mpnn message-passing-neural-network Updated Jun 17, 2021 Python