Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)
☆115Dec 15, 2023Updated 2 years ago
Alternatives and similar repositories for Matformer
Users that are interested in Matformer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 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
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆380Aug 14, 2024Updated 2 years ago
- ☆13Dec 15, 2023Updated 2 years ago
- Scalable graph neural networks for materials property prediction☆66Feb 2, 2026Updated 9 months ago
- Crystal graph convolutional neural networks for predicting material properties.☆899Sep 6, 2021Updated 5 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.
- CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials. (AAAI-2023)☆32Jan 15, 2025Updated last year
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆123Mar 9, 2026Updated 7 months ago
- The official code respository for "Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding" (ICLR 2024)☆29Mar 8, 2025Updated last year
- Artificial Intelligence Research for Science (AIRS)☆803Oct 1, 2026Updated last month
- Materials Transformers☆25Feb 4, 2023Updated 3 years ago
- Graph deep learning library for materials☆579Updated this week
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆145Mar 3, 2026Updated 8 months ago
- Matbench: Benchmarks for materials science property prediction☆224Updated this week
- Use time-splits for Materials Project entries for generative modeling benchmarking.☆13Mar 12, 2026Updated 7 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.
- Predict materials properties using only the composition information!☆134Apr 23, 2023Updated 3 years ago
- CartNet repository to predict properties from crystal structures☆16Sep 23, 2025Updated last year
- CrysMMNet: Multimodal Representation for Crystal Property Prediction (UAI-2023)☆22Jun 28, 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
- ☆14May 1, 2026Updated 6 months ago
- Crystal graph convolutional neural networks for predicting material properties.☆33Nov 9, 2022Updated 3 years ago
- An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)☆10Dec 17, 2022Updated 3 years ago
- Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.☆331Apr 7, 2025Updated last year
- MatDeepLearn, package for graph neural networks in materials chemistry☆207Mar 20, 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.
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆13May 5, 2025Updated last year
- ☆20Jul 1, 2023Updated 3 years ago
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆31Aug 20, 2024Updated 2 years ago
- Universal atomic embedding based on crystalTransfomer☆25Jan 11, 2025Updated last year
- Text-based modeling of materials.☆44Aug 14, 2026Updated 2 months ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆558Apr 27, 2023Updated 3 years ago
- The official code respository for "Rethinking the role of frames for SE(3)-invariant crystal structure modeling" (ICLR 2025)☆21Oct 16, 2025Updated last year
- Distributed representations of atoms, inspired by the Skip-gram model☆28Jul 16, 2023Updated 3 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆187Apr 14, 2025Updated last year
- NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Predicti…☆70May 3, 2024Updated 2 years ago
- ☆31Sep 29, 2026Updated last month
- Diffusion Probabilistic CDVAE☆25Dec 7, 2023Updated 2 years ago
- Coarse-grained Diffusion for Metal-Organic Framework Design☆65Jun 18, 2024Updated 2 years ago
- ☆12Jun 26, 2023Updated 3 years ago
- A Machine Learning Benchmark for Predicting Enhanced-Precision Electronic Charge Density in Crystalline Inorganic Materials☆15Feb 9, 2025Updated last year