Hierarchical Molecular Learning

Implementation of "Semi-supervised learning of hierarchical representations of molecules using neural message passing" (arXiv:1711.10168)
Alternatives To Hierarchical Molecular Learning
Project NameStarsDownloadsRepos Using ThisPackages Using ThisMost Recent CommitTotal ReleasesLatest ReleaseOpen IssuesLicenseLanguage
Dgl Lifesci5584a year ago17December 21, 202225apache-2.0Python
Python package for graph neural networks in chemistry and biology
Graphinvent312
a year ago10mitPython
Graph neural networks for molecular design.
Tensormol190
6 years ago1November 08, 201716gpl-3.0Python
Tensorflow + Molecules = TensorMol
Moleculargnn_smiles182
3 years ago5apache-2.0Python
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.
Neuralogic84
4 months ago2February 23, 2022mitJava
Deep relational learning through differentiable logic programming.
Deep Drug Coder75
3 years ago1mitPython
A tensorflow.keras generative neural network for de novo drug design, published in Nature Machine Intelligence while working at AstraZeneca.
Drugai56
5 years agoPython
Generation and Classification of Drug Like molecule usings Neural Networks
Sars Cov Inhibitors Chemai36
4 years agomit
Large-scale ligand-based virtual screening for potential SARS-Cov-2 inhibitors using a deep neural network
Aimnet31
4 years ago3mitPython
Atoms In Molecules Neural Network Potential
Hierarchical Molecular Learning11
6 years agomitPython
Implementation of "Semi-supervised learning of hierarchical representations of molecules using neural message passing" (arXiv:1711.10168)
Alternatives To Hierarchical Molecular Learning
Select To Compare


Alternative Project Comparisons
Popular Neural Projects
Popular Molecule Projects
Popular Machine Learning Categories

Get A Weekly Email With Trending Projects For These Categories
No Spam. Unsubscribe easily at any time.
Python
Neural
Molecule
Chainer
Message Passing