A Foundation Model for Crystal Structure Generation and Prediction
☆138Mar 31, 2026Updated last week
Alternatives and similar repositories for CrystalFormer
Users that are interested in CrystalFormer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆65Feb 5, 2026Updated 2 months ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated last year
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- [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
- 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.
- The official code respository for "Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding" (ICLR 2024)☆28Mar 8, 2025Updated last year
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆181Oct 29, 2024Updated last year
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated last month
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆218Updated this week
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆116Mar 9, 2026Updated last month
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆27Oct 8, 2024Updated last year
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning (Nature Computational Science, 2026)☆38Feb 10, 2026Updated 2 months ago
- A package for creating a matrix product state (MPS) from a free fermion (Gaussian) state.☆10Dec 6, 2021Updated 4 years ago
- A toolkit for visualizations in materials informatics.☆308Updated this week
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A code to generate atomic structure with symmetry☆360Updated this week
- ☆33Oct 24, 2025Updated 5 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆157Mar 16, 2026Updated 3 weeks ago
- Graph deep learning library for materials☆527Apr 3, 2026Updated last week
- ☆19Sep 15, 2021Updated 4 years ago
- Collection of tools for the manipulation of Fermionic Gaussian States☆29Nov 21, 2023Updated 2 years ago
- A text-guided diffusion model for crystal structure generation☆77May 30, 2025Updated 10 months ago
- Machine learning for physicists☆141Apr 27, 2023Updated 2 years ago
- Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings☆48May 15, 2023Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated 6 months ago
- Fine-tuning and distillation workflow for pretrained atomic potentials☆35Feb 11, 2026Updated 2 months ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 5 months ago
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆14Sep 22, 2025Updated 6 months ago
- ☆12Apr 9, 2025Updated last year
- Large language models to generate stable crystals.☆117Jun 18, 2024Updated last year
- ☆23Jul 23, 2019Updated 6 years ago
- AI for crystal materials☆124Apr 3, 2026Updated last week
- MatterSim: A deep learning atomistic model across elements, temperatures and pressures.☆528Updated this week
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆41Oct 22, 2025Updated 5 months ago
- Torch-native, batchable, atomistic simulations.☆441Apr 2, 2026Updated last week
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆68Mar 5, 2026Updated last month
- ☆29Oct 17, 2024Updated last year
- SevenNet - a graph neural network interatomic potential package supporting efficient multi-GPU parallel molecular dynamics simulations.☆241Updated this week
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆14May 5, 2025Updated 11 months ago