Crystal graph convolutional neural networks for predicting material properties.
☆33Nov 9, 2022Updated 3 years ago
Alternatives and similar repositories for OGCNN
Users that are interested in OGCNN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Predicti…☆70May 3, 2024Updated 2 years ago
- Crystal Edge Graph Attention Neural Network☆25Jun 17, 2024Updated 2 years ago
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆88Dec 17, 2024Updated last year
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆334Aug 25, 2025Updated last year
- ☆20Jul 1, 2023Updated 3 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆65Jul 2, 2026Updated 4 months ago
- ☆33Jul 14, 2024Updated 2 years ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆115Dec 15, 2023Updated 2 years ago
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆12Sep 23, 2024Updated 2 years ago
- Crystal graph convolutional neural networks for predicting material properties.☆899Sep 6, 2021Updated 5 years ago
- Crystal Graph Neural Networks☆108Apr 20, 2024Updated 2 years ago
- Predict materials properties using only the composition information!☆134Apr 23, 2023Updated 3 years ago
- ☆15Jul 22, 2026Updated 3 months ago
- ☆20Oct 18, 2022Updated 4 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.
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆558Apr 27, 2023Updated 3 years ago
- Matbench: Benchmarks for materials science property prediction☆224Updated this week
- CartNet repository to predict properties from crystal structures☆16Sep 23, 2025Updated last year
- ☆19Jun 29, 2017Updated 9 years ago
- ☆14May 1, 2026Updated 6 months ago
- Representation Learning from Stoichiometry☆61Dec 12, 2022Updated 3 years ago
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆30May 19, 2022Updated 4 years ago
- Generative deep learning model for inorganic materials☆20Mar 24, 2023Updated 3 years ago
- This repo contains data files and code used for tutorial MD00 at the MRS spring meeting 2023.☆13Mar 11, 2025Updated last year
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- CNN-based identification of defective solar cells in electroluminescence imagery☆15Jun 27, 2022Updated 4 years ago
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆60Aug 27, 2026Updated 2 months ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆23Nov 13, 2021Updated 4 years ago
- This is an updated version of the MolecularTransformer of Schwaller et. al.☆14Jan 17, 2022Updated 4 years ago
- A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).☆21Oct 21, 2023Updated 3 years ago
- ☆27Dec 8, 2022Updated 3 years ago
- About JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/…☆403Aug 25, 2025Updated last year
- The Element Movers Distance for chemical composition similarity☆38Aug 20, 2026Updated 2 months ago
- Automatic Topological Generator for Framework Structures☆21Mar 20, 2018Updated 8 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.
- Scalable graph neural networks for materials property prediction☆66Feb 2, 2026Updated 9 months ago
- The inverse materials design is a key topic of materials science nowadays. The proposed software solutions are useful tools for decision …☆11Jul 15, 2020Updated 6 years ago
- Solve the N-D time-independent Schrödinger equation for a single particle.☆10Nov 24, 2019Updated 6 years ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆380Aug 14, 2024Updated 2 years ago
- Tensorflow implementation of message passing neural networks for molecules and materials☆12Mar 9, 2020Updated 6 years ago
- Primer of crystal symmetry and space group☆17Jan 7, 2026Updated 9 months ago
- CGCNN for inorganic solid materials☆13Sep 7, 2025Updated last year