Project Name	Stars	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		4 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		3 months ago			17	mit	Julia
Graph-based molecule modeling toolkit for cheminformatics

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Dgl Lifesci ⭐ 558

Python package for graph neural networks in chemistry and biology

dependent packages 4total releases 17most recent commit a year ago

Megnet ⭐ 444

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

most recent commit a year ago

Drkg ⭐ 372

A knowledge graph and a set of tools for drug repurposing

most recent commit 2 years ago

Graphinvent ⭐ 312

Graph neural networks for molecular design.

most recent commit a year ago

Rl_graph_generation ⭐ 216

most recent commit 3 years ago

Constrained Graph Variational Autoencoder ⭐ 203

Sample code for Constrained Graph Variational Autoencoders

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Moleculargnn_smiles ⭐ 182

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.

most recent commit 3 years ago

Eagcn ⭐ 181

Multi-View Spectral Graph Convolution with Consistent Edge Attention for Molecular Modeling

most recent commit 3 years ago

Espaloma ⭐ 181

Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196

total releases 2most recent commit 4 months ago

Moleculargraph.jl ⭐ 177

Graph-based molecule modeling toolkit for cheminformatics

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Suggest An Alternative To ccgnet

Alternative Project Comparisons

Ccgnet vs Dgl Lifesci

Ccgnet vs Megnet

Ccgnet vs Drkg

Ccgnet vs Graphinvent

Ccgnet vs Rl_graph_generation

Ccgnet vs Constrained Graph Variational Autoencoder

Ccgnet vs Moleculargnn_smiles

Ccgnet vs Eagcn

Ccgnet vs Espaloma

Ccgnet vs Moleculargraph.jl

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