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
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆320Aug 25, 2025Updated 8 months ago
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆86Dec 17, 2024Updated last year
- ☆19Jul 1, 2023Updated 2 years ago
- Crystal graph convolutional neural networks for predicting material properties.☆864Sep 6, 2021Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆110Dec 15, 2023Updated 2 years ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆64Sep 10, 2023Updated 2 years ago
- ☆34Jul 14, 2024Updated last year
- Crystal Edge Graph Attention Neural Network☆23Jun 17, 2024Updated last year
- Crystal Graph Neural Networks☆109Apr 20, 2024Updated 2 years ago
- ☆15Sep 14, 2023Updated 2 years ago
- Predict materials properties using only the composition information!☆125Apr 23, 2023Updated 3 years 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"☆29May 19, 2022Updated 4 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.
- ☆20Oct 18, 2022Updated 3 years ago
- CNN-based identification of defective solar cells in electroluminescence imagery☆15Jun 27, 2022Updated 3 years ago
- Julia package to compute trap-assisted electron and hole capture in semiconductors☆57Apr 23, 2026Updated last month
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆22Nov 13, 2021Updated 4 years ago
- Primer of crystal symmetry and space group☆17Jan 7, 2026Updated 4 months ago
- A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).☆21Oct 21, 2023Updated 2 years ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆555Apr 27, 2023Updated 3 years ago
- ☆19Jun 29, 2017Updated 8 years ago
- ☆27Dec 8, 2022Updated 3 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15Sep 22, 2025Updated 8 months ago
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- Solve the N-D time-independent Schrödinger equation for a single particle.☆10Nov 24, 2019Updated 6 years ago
- Tensorflow implementation of message passing neural networks for molecules and materials☆12Mar 9, 2020Updated 6 years ago
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆24Mar 3, 2023Updated 3 years ago
- About JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/…☆384Aug 25, 2025Updated 8 months ago
- ☆22May 7, 2025Updated last year
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆39Oct 4, 2023Updated 2 years ago
- Graph deep learning library for materials☆545Updated this week
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A python package designed to communicate among various chemical and materials calculational tools☆15Dec 8, 2025Updated 5 months ago
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆85Dec 14, 2021Updated 4 years ago
- Introducing AlloyBERT: a transformer encoder-based model for predicting alloy properties from textual inputs. Leveraging RoBERTa and self…☆13Aug 5, 2024Updated last year
- scripts to load all data from ICSD, Materials Project, and OQMD☆69Oct 11, 2022Updated 3 years ago
- ☆59Jul 16, 2021Updated 4 years ago
- ☆14Nov 10, 2025Updated 6 months ago
- Generative deep learning model for inorganic materials☆20Mar 24, 2023Updated 3 years ago