Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]
☆29Jun 8, 2026Updated last month
Alternatives and similar repositories for WyckoffTransformer
Users that are interested in WyckoffTransformer are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- deCIFer is a transformer-based model for crystal structure prediction, generating Crystallographic Information Files (CIFs) directly from…☆15Updated this week
- Benchmarking Large Language Models for Materials Science Tools☆17Sep 18, 2025Updated 10 months ago
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- Generative framework for crystal structure prediction and de novo generation of inorganic crystals.☆53Jun 30, 2026Updated 3 weeks ago
- CrysText: A Generative AI Approach for Text-Conditioned Crystal Structure Generation using LLM☆20Jul 14, 2026Updated 2 weeks ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ord…☆15Feb 16, 2026Updated 5 months ago
- A cellular automaton for simulation solid state reactions☆17Jul 13, 2026Updated 2 weeks ago
- Automation software for calculating anharmonic phonon properties☆27Jul 3, 2026Updated 3 weeks ago
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Jul 20, 2026Updated last week
- Code for Graph Neural Networks for computational materials science☆24Mar 6, 2026Updated 4 months ago
- This repository curates open-source models and related resources for the PXRD to crystal structure generation task.☆16Updated this week
- Structural constraint integration in a generative model for the discovery of quantum materials☆34Oct 2, 2025Updated 9 months ago
- ☆30Nov 12, 2025Updated 8 months ago
- Material Potential Library (MatPL) (formerly known as PWMLFF, https://github.com/LonxunQuantum/PWMLFF) is an open-source software package…☆15Updated this week
- 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.
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 2 months ago
- A text-guided diffusion model for crystal structure generation☆80May 30, 2025Updated last year
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆44May 28, 2026Updated 2 months ago
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆13Feb 19, 2025Updated last year
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆30Jan 3, 2025Updated last year
- Lightweight diffusion transformer for crystalline materials discovery☆25Updated this week
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆40Updated this week
- A Foundation Model for Crystal Structure Generation and Prediction☆151Mar 31, 2026Updated 3 months ago
- AI for crystal materials☆155Jul 11, 2026Updated 2 weeks ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- A Python package for the creation of input files for CP2K, MACE-torch, MatterSim, SevenNet, ORB and Grace as well as the post-processing …☆26Updated this week
- Sum-of-Gaussians Neural Network (SOG-Net) is a lightweight and versatile framework for integrating long-range interactions into machine l…☆35Dec 23, 2025Updated 7 months ago
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆16Feb 15, 2026Updated 5 months ago
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆29Updated this week
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling☆44Dec 17, 2025Updated 7 months ago
- The first diffusion model for inorganic materials that explicitly incorporates electronic structure information☆20Jun 10, 2026Updated last month
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆175Apr 14, 2025Updated last year
- MatInvent: Accelerating inverse materials design using generative diffusion models with reinforcement learning☆51May 28, 2026Updated 2 months ago
- ☆20Oct 18, 2022Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Helpers for working with pymatgen structure graphs.☆12Feb 4, 2025Updated last year
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆82Jun 29, 2026Updated 3 weeks ago
- Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks☆27Aug 28, 2025Updated 11 months ago
- Library for Crystal Symmetry in Rust☆76Updated this week
- Deep PXRD Crystallography with CDVAE.☆32Jun 27, 2025Updated last year
- ☆14Apr 9, 2025Updated last year
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 5 months ago