Project Name | Stars | Downloads | Repos Using This | Packages Using This | Most Recent Commit | Total Releases | Latest Release | Open Issues | License | Language |
---|---|---|---|---|---|---|---|---|---|---|
Chemprop | 1,405 | 5 months ago | 13 | August 01, 2023 | 61 | other | Python | |||
Message Passing Neural Networks for Molecule Property Prediction | ||||||||||
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 | ||||||||||
Graphinvent | 312 | a year ago | 10 | mit | Python | |||||
Graph neural networks for molecular design. | ||||||||||
Tensormol | 190 | 6 years ago | 1 | November 08, 2017 | 16 | gpl-3.0 | Python | |||
Tensorflow + Molecules = TensorMol | ||||||||||
Gcnn_keras | 94 | 2 | 5 months ago | 26 | November 29, 2023 | 10 | mit | Jupyter Notebook | ||
Graph convolutions in Keras with TensorFlow, PyTorch or Jax. | ||||||||||
Neuralogic | 84 | 7 months ago | 2 | February 23, 2022 | mit | Java | ||||
Deep relational learning through differentiable logic programming. | ||||||||||
Deep Drug Coder | 75 | 3 years ago | 1 | mit | Python | |||||
A tensorflow.keras generative neural network for de novo drug design, published in Nature Machine Intelligence while working at AstraZeneca. | ||||||||||
Simple Equivariant Gnn | 59 | 2 years ago | 2 | apache-2.0 | Python | |||||
A short and easy PyTorch implementation of E(n) Equivariant Graph Neural Networks | ||||||||||
Drugai | 56 | 5 years ago | Python | |||||||
Generation and Classification of Drug Like molecule usings Neural Networks | ||||||||||
Graph Nvp | 44 | 5 years ago | 1 | mit | Python | |||||
GraphNVP: An Invertible Flow Model for Generating Molecular Graphs |