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.
☆1,689Feb 27, 2026Updated 2 months ago
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.☆535Updated this week
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆168Apr 14, 2025Updated last year
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆371Aug 14, 2024Updated last year
- Graph deep learning library for materials☆536Updated this week
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆183Oct 29, 2024Updated last year
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆222Apr 23, 2026Updated last week
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆379Feb 19, 2026Updated 2 months ago
- ORB forcefield models from Orbital Materials☆571Mar 18, 2026Updated last month
- [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.☆1,160Apr 6, 2026Updated 3 weeks ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆159Mar 16, 2026Updated last month
- FAIR Chemistry's library of machine learning methods for chemistry☆2,079Updated this week
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆243Apr 19, 2026Updated last week
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆140Mar 3, 2026Updated last month
- 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 implementation of All Atom Diffusion Transformers (ICML 2025)☆303Apr 13, 2026Updated 2 weeks ago
- ☆1,165Mar 30, 2026Updated last month
- A toolkit for visualizations in materials informatics.☆312Apr 9, 2026Updated 3 weeks ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆98Apr 16, 2026Updated 2 weeks ago
- A python library for calculating materials properties from the PES☆138Updated this week
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials☆73Feb 21, 2025Updated last year
- A Foundation Model for Crystal Structure Generation and Prediction☆142Mar 31, 2026Updated last month
- A code to generate atomic structure with symmetry☆364Apr 21, 2026Updated last week
- Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.☆320Apr 7, 2025Updated last year
- 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.
- Crystal graph convolutional neural networks for predicting material properties.☆859Sep 6, 2021Updated 4 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated last year
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆317Aug 25, 2025Updated 8 months ago
- atomate2 is a library of computational materials science workflows☆298Updated this week
- ☆23Jul 3, 2025Updated 9 months ago
- 🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.☆649Updated this week
- 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☆900Apr 21, 2026Updated last week
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆117Mar 9, 2026Updated last month
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- Alchemical machine learning interatomic potentials☆34Nov 8, 2024Updated last year
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆453Apr 6, 2026Updated 3 weeks ago
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆76Apr 21, 2026Updated last week
- MACE foundation models (MP, OMAT, mh-1)☆235Apr 14, 2026Updated 2 weeks ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated 7 months ago
- Library for Crystal Symmetry in Rust☆71Updated this week
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆140Apr 6, 2026Updated 3 weeks ago