Crystal graph attention neural networks for materials prediction
☆31Jul 18, 2023Updated 2 years ago
Alternatives and similar repositories for CGAT
Users that are interested in CGAT are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆11Aug 18, 2023Updated 2 years ago
- ☆34Jul 14, 2024Updated last year
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆43Feb 15, 2023Updated 3 years ago
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- CrySPY is a crystal structure prediction tool written in Python.☆151Oct 6, 2025Updated 7 months ago
- 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.
- scripts to load all data from ICSD, Materials Project, and OQMD☆69Oct 11, 2022Updated 3 years ago
- The Wren sits on its Roost in the Aviary.☆63Apr 12, 2026Updated last month
- A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code☆24May 8, 2026Updated 2 weeks ago
- Robust NN MD simulator☆21Aug 3, 2023Updated 2 years ago
- Inorganic Reaction Prediction☆11Jul 25, 2024Updated last year
- DeepCrystal: A Deep Learning Framework for sequence-based Protein Crystallization Prediction☆18Oct 2, 2025Updated 7 months ago
- SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)☆15Jul 20, 2024Updated last year
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆27Oct 8, 2024Updated last year
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Jun 6, 2022Updated 3 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.
- Scalable graph neural networks for materials property prediction☆65Feb 2, 2026Updated 3 months ago
- Repository for UCSD NANO 266 Quantum Mechanical Modelling of Materials☆22Nov 13, 2024Updated last year
- This repo implements a web application utilizing a deep neural network to predict the formation energies and stability of garnet crystals…☆33May 1, 2023Updated 3 years ago
- Benchmarking of 1D pattern classification networks☆11Jul 19, 2023Updated 2 years ago
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆23May 6, 2026Updated 2 weeks ago
- Generative deep learning model for inorganic materials☆20Mar 24, 2023Updated 3 years ago
- Graphic user interface (GUI) for the battery database.☆16Feb 10, 2023Updated 3 years ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Apr 19, 2023Updated 3 years ago
- Phonons from ML force fields☆24Mar 22, 2026Updated 2 months 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.
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆456May 13, 2026Updated last week
- NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Predicti…☆70May 3, 2024Updated 2 years ago
- 天池学习赛——街景字符编码识别☆17Apr 5, 2021Updated 5 years ago
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- Crystal Edge Graph Attention Neural Network☆23Jun 17, 2024Updated last year
- ☆46Jan 29, 2026Updated 3 months ago
- Spring 2024 - Data Science and Machine Learning in Chemical Engineering☆12Feb 14, 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
- iAETA(基于大数据与AI的地震临震预测) /todo☆13Jun 3, 2024Updated last year
- 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.
- Introducing AlloyBERT: a transformer encoder-based model for predicting alloy properties from textual inputs. Leveraging RoBERTa and self…☆13Aug 5, 2024Updated last year
- Statistical Mechanics on Lattices☆96May 14, 2026Updated last week
- This repo contains demonstrations of an extensible Crystal Structure Type Recognition Network (CSTRNet), which consists of a variable num…☆14May 21, 2024Updated 2 years ago
- ☆25Nov 1, 2024Updated last year
- Encoding chemistry to interpret crystallographic data☆27Updated this week
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆36Apr 10, 2026Updated last month
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆282May 4, 2026Updated 2 weeks ago