Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
---|---|---|---|---|---|---|---|---|---|---|
Dgl Lifesci | 558 | 4 | a year ago | 17 | December 21, 2022 | 25 | apache-2.0 | Python | ||
Python package for graph neural networks in chemistry and biology | ||||||||||
Megnet | 444 | a year ago | 21 | bsd-3-clause | Jupyter Notebook | |||||
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals | ||||||||||
Drkg | 372 | 2 years ago | 15 | apache-2.0 | Jupyter Notebook | |||||
A knowledge graph and a set of tools for drug repurposing | ||||||||||
Graphinvent | 312 | a year ago | 10 | mit | Python | |||||
Graph neural networks for molecular design. | ||||||||||
Rl_graph_generation | 216 | 3 years ago | 7 | bsd-3-clause | Python | |||||
Constrained Graph Variational Autoencoder | 203 | a year ago | 4 | mit | Python | |||||
Sample code for Constrained Graph Variational Autoencoders | ||||||||||
Moleculargnn_smiles | 182 | 3 years ago | 5 | apache-2.0 | Python | |||||
The code of a graph neural network (GNN) for molecules, which is based on learning representations of r-radius subgraphs (i.e., fingerprints) in molecules. | ||||||||||
Eagcn | 181 | 3 years ago | Python | |||||||
Multi-View Spectral Graph Convolution with Consistent Edge Attention for Molecular Modeling | ||||||||||
Espaloma | 181 | 5 months ago | 2 | September 30, 2022 | 57 | mit | Python | |||
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196 | ||||||||||
Moleculargraph.jl | 177 | 4 months ago | 17 | mit | Julia | |||||
Graph-based molecule modeling toolkit for cheminformatics |