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.
☆1,699Feb 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.☆548May 11, 2026Updated last week
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆169Apr 14, 2025Updated last year
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆372Aug 14, 2024Updated last year
- Graph deep learning library for materials☆541May 12, 2026Updated last 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 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.
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆224Apr 30, 2026Updated 3 weeks ago
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆381Feb 19, 2026Updated 3 months ago
- ORB forcefield models from Orbital Materials☆580Updated this week
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆67Feb 5, 2026Updated 3 months ago
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.☆1,183May 10, 2026Updated last week
- A Large Language Model of the CIF format for Crystal Structure Generation☆159Mar 16, 2026Updated 2 months ago
- FAIR Chemistry's library of machine learning methods for chemistry☆2,101Updated this week
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆247May 11, 2026Updated last week
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆140Mar 3, 2026Updated 2 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆305Apr 13, 2026Updated last month
- ☆1,177May 12, 2026Updated last week
- A toolkit for visualizations in materials informatics.☆314Updated this week
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆100Apr 16, 2026Updated last month
- A python library for calculating materials properties from the PES☆141Updated this week
- Torch-native, batchable, atomistic simulations.☆460May 13, 2026Updated last week
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials☆74Feb 21, 2025Updated last year
- A Foundation Model for Crystal Structure Generation and Prediction☆145Mar 31, 2026Updated last month
- A code to generate atomic structure with symmetry☆370May 10, 2026Updated last week
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.☆322Apr 7, 2025Updated last year
- Crystal graph convolutional neural networks for predicting material properties.☆864Sep 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☆320Aug 25, 2025Updated 8 months ago
- atomate2 is a library of computational materials science workflows☆307May 11, 2026Updated last week
- ☆23Jul 3, 2025Updated 10 months ago
- 🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.☆682May 9, 2026Updated last 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☆910May 12, 2026Updated last week
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆118Mar 9, 2026Updated 2 months ago
- Alchemical machine learning interatomic potentials☆34Nov 8, 2024Updated last year
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆456May 13, 2026Updated last week
- MACE foundation models (MP, OMAT, mh-1)☆252May 3, 2026Updated 2 weeks ago
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆77Apr 21, 2026Updated last month
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated 7 months ago
- Library for Crystal Symmetry in Rust☆73Updated this week