Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuned to steer the generation towards a wide range of property constraints.
☆1,669Feb 27, 2026Updated last month
Alternatives and similar repositories for mattergen
Users that are interested in mattergen are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MatterSim: A deep learning atomistic model across elements, temperatures and pressures.☆528Updated this week
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆165Apr 14, 2025Updated 11 months ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆368Aug 14, 2024Updated last year
- Graph deep learning library for materials☆527Apr 3, 2026Updated last week
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆181Oct 29, 2024Updated last year
- Wordpress hosting with auto-scaling on Cloudways • AdFully Managed hosting built for WordPress-powered businesses that need reliable, auto-scalable hosting. Cloudways SafeUpdates now available.
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆374Feb 19, 2026Updated last month
- ORB forcefield models from Orbital Materials☆562Mar 18, 2026Updated 3 weeks ago
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆216Mar 27, 2026Updated 2 weeks ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆65Feb 5, 2026Updated 2 months ago
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.☆1,132Updated this week
- A Large Language Model of the CIF format for Crystal Structure Generation☆157Mar 16, 2026Updated 3 weeks ago
- FAIR Chemistry's library of machine learning methods for chemistry☆2,037Updated this week
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆241Updated this week
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆140Mar 3, 2026Updated last month
- 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.
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆300Mar 26, 2026Updated 2 weeks ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆95Mar 27, 2026Updated 2 weeks ago
- ☆1,158Mar 30, 2026Updated last week
- A toolkit for visualizations in materials informatics.☆308Updated this week
- A python library for calculating materials properties from the PES☆136Updated this week
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials☆71Feb 21, 2025Updated last year
- Torch-native, batchable, atomistic simulations.☆441Apr 2, 2026Updated last week
- A Foundation Model for Crystal Structure Generation and Prediction☆138Mar 31, 2026Updated last week
- Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.☆318Apr 7, 2025Updated last year
- 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 code to generate atomic structure with symmetry☆360Updated this week
- Crystal graph convolutional neural networks for predicting material properties.☆844Sep 6, 2021Updated 4 years ago
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆308Aug 25, 2025Updated 7 months ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Jun 1, 2024Updated last year
- atomate2 is a library of computational materials science workflows☆293Updated this week
- 🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.☆637Apr 2, 2026Updated last week
- ☆23Jul 3, 2025Updated 9 months ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆27Oct 8, 2024Updated last year
- NequIP is a code for building E(3)-equivariant interatomic potentials☆890Mar 25, 2026Updated 2 weeks 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.
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆116Mar 9, 2026Updated last month
- Alchemical machine learning interatomic potentials☆34Nov 8, 2024Updated last year
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆75Mar 31, 2026Updated last week
- MACE foundation models (MP, OMAT, mh-1)☆221Feb 23, 2026Updated last month
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated 6 months ago
- Library for Crystal Symmetry in Rust☆70Updated this week
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆137Updated this week