Crystal Edge Graph Attention Neural Network
☆24Jun 17, 2024Updated 2 years ago
Alternatives and similar repositories for CEGANN
Users that are interested in CEGANN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A Continuous Action Space Tree search for INverse desiGn (CASTING)☆14Dec 8, 2023Updated 2 years ago
- ☆19Jul 1, 2023Updated 3 years ago
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Aug 26, 2025Updated 10 months ago
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆87Dec 17, 2024Updated last year
- Fork/mirror of AMPGO code☆11Apr 7, 2015Updated 11 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.
- CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)☆20Jul 4, 2023Updated 3 years ago
- A DGL implementation of "Directional Message Passing for Molecular Graphs" (ICLR 2020).☆21Oct 21, 2023Updated 2 years ago
- Crystal graph convolutional neural networks for predicting material properties.☆33Nov 9, 2022Updated 3 years ago
- 致力于AI for science的交叉学科融合。☆11Aug 18, 2024Updated last year
- ☆19Apr 26, 2026Updated 2 months ago
- ☆16Oct 8, 2023Updated 2 years ago
- ☆16Jan 22, 2026Updated 6 months ago
- Tutorials for DeepModeling projects.☆17Mar 11, 2026Updated 4 months ago
- Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials☆22Nov 13, 2024Updated last year
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Crystallography Companion Agent☆21Jul 8, 2022Updated 4 years ago
- Deep Learning Analysis of Defect and Phase Evolution During Electron Beam Induced Transformations in WS2☆13Aug 14, 2018Updated 7 years ago
- This repo contains data files and code used for tutorial MD00 at the MRS spring meeting 2023.☆13Mar 11, 2025Updated last year
- BERTOS: transformer for oxidation state prediction☆15May 31, 2026Updated last month
- Veidt is a deep learning library for materials science.☆18May 5, 2020Updated 6 years ago
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆559Apr 27, 2023Updated 3 years ago
- ☆33Jul 14, 2024Updated 2 years ago
- Mr. Network is a python reaction-network for molecular systems☆11Jun 22, 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.
- Crystal Graph Convolutional Neural Networks tutorial☆32Mar 27, 2023Updated 3 years ago
- ☆33Aug 3, 2021Updated 4 years ago
- This repo contains the codes to run solvation free energy prediction.☆13May 1, 2022Updated 4 years ago
- ☆24Jul 25, 2021Updated 4 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 last year
- Slab graph convolutional neural networks for predicting surface-related material properties☆18Oct 6, 2020Updated 5 years ago
- Collection of National Science Foundation (NSF) proposal templates: pitches, general applications, etc.☆16Nov 17, 2023Updated 2 years ago
- Atom-by-atom design of metal oxide catalysts for the oxygen evolution reaction with Machine Learning☆12Oct 19, 2023Updated 2 years ago
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆30Jan 3, 2025Updated last year
- 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.
- Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"☆24Oct 12, 2022Updated 3 years ago
- Accelerated design for high entropy alloys based on machine learning and multi-objective optimization☆14Dec 27, 2023Updated 2 years ago
- ☆13Dec 29, 2020Updated 5 years ago
- Useful scripts in Computaional Material Science.☆23Apr 13, 2026Updated 3 months ago
- volume calculation and segmentation☆39May 20, 2024Updated 2 years ago
- code for ZStruct-2☆16Aug 31, 2024Updated last year
- A repository for the LLM-Prop implementation☆57Jan 31, 2026Updated 5 months ago