Our own implementation of Neural Message Passing for Computer Vision paper
☆342May 5, 2020Updated 6 years ago
Alternatives and similar repositories for nmp_qc
Users that are interested in nmp_qc are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Open source implementation of "Neural Message Passing for Quantum Chemistry"☆239Jul 25, 2017Updated 8 years ago
- Graph Neural Networks for Quantum Chemistry☆129Apr 27, 2018Updated 8 years ago
- Efficient Learning of Message Passing Neural Networks for Molecular Property Production☆18Feb 23, 2020Updated 6 years ago
- Pytorch implementation of MPNN for Quantum Chemistry☆18Nov 7, 2024Updated last year
- Convolutional nets which can take molecular graphs of arbitrary size as input.☆501Jan 23, 2018Updated 8 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Code used to generate the results appearing in "Train longer, generalize better: closing the generalization gap in large batch training o…☆148May 25, 2017Updated 9 years ago
- Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)☆560Dec 1, 2022Updated 3 years ago
- GraphRNN: Generating Realistic Graphs with Deep Auto-regressive Models☆734Jan 20, 2022Updated 4 years ago
- ☆114Jul 25, 2024Updated last year
- Pytorch implementation of a message passing neural network with RNN sub-units☆14Jul 25, 2024Updated last year
- Code for "On the Effects of Batch and Weight Normalization in Generative Adversarial Networks"☆181Jan 15, 2018Updated 8 years ago
- Sample Code for Gated Graph Neural Networks☆1,029Oct 10, 2019Updated 6 years ago
- Edge-Conditioned Convolutions on Graphs☆232Nov 2, 2018Updated 7 years ago
- Implementation of Adversarial Variational Optimization in PyTorch☆42Aug 7, 2018Updated 7 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Molecular AutoEncoder in PyTorch☆92Jan 16, 2026Updated 5 months ago
- Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models☆243Mar 24, 2023Updated 3 years ago
- Pytorch implementation of "Forward Thinking: Building and Training Neural Networks One Layer at a Time"☆65Jun 14, 2017Updated 9 years ago
- Molecular-GAT☆21May 30, 2018Updated 8 years ago
- Fast Scattering Transform with CuPy/PyTorch☆295Feb 22, 2020Updated 6 years ago
- Lanczos Network, Graph Neural Networks, Deep Graph Convolutional Networks, Deep Learning on Graph Structured Data, QM8 Quantum Chemistry …☆317Oct 18, 2019Updated 6 years ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆557Apr 27, 2023Updated 3 years ago
- Multi-View Spectral Graph Convolution with Consistent Edge Attention for Molecular Modeling☆203Oct 1, 2021Updated 4 years ago
- Neural relational inference for interacting systems - pytorch☆772Nov 19, 2019Updated 6 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology☆6,793Jun 9, 2026Updated last week
- Graph Neural Network Library for PyTorch☆23,814Jun 8, 2026Updated last week
- ☆44Sep 6, 2017Updated 8 years ago
- Build Graph Nets in Tensorflow☆5,403Dec 12, 2022Updated 3 years ago
- Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)☆175Oct 29, 2018Updated 7 years ago
- Code for the paper "Adversarial Generator-Encoder Networks"☆287Jun 28, 2018Updated 7 years ago
- Python package for graph neural networks in chemistry and biology☆804Nov 1, 2023Updated 2 years ago
- Collection of graph neural networks in pytorch☆50Dec 11, 2017Updated 8 years ago
- Pytorch implementation of "A simple neural network module for relational reasoning" (Relational Networks)☆816Dec 6, 2022Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning☆335Jul 20, 2021Updated 4 years ago
- A PyTorch Implementation of Gated Graph Sequence Neural Networks (GGNN)☆469Jul 31, 2019Updated 6 years ago
- Code to accompany the paper "Learning Graphical State Transitions"☆170May 9, 2017Updated 9 years ago
- ☆58May 26, 2016Updated 10 years ago
- Graph Convolutional Networks in PyTorch☆5,405Sep 20, 2020Updated 5 years ago
- [adversarial] examples and training cost☆19Jun 29, 2016Updated 9 years ago
- ☆360Oct 12, 2022Updated 3 years ago