A text-guided diffusion model for crystal structure generation
☆79May 30, 2025Updated last year
Alternatives and similar repositories for chemeleon
Users that are interested in chemeleon are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A RL framework for Crystal Structure Generation using GRPO☆45May 14, 2026Updated last month
- A molecular simulation package integrating MLFFs in MOFs for DAC☆47Oct 17, 2025Updated 7 months ago
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 3 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆142Mar 3, 2026Updated 3 months 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.
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆186Oct 29, 2024Updated last year
- Alchemical machine learning interatomic potentials☆35Nov 8, 2024Updated last year
- ☆20Nov 19, 2025Updated 6 months ago
- AI for crystal materials☆144Jun 2, 2026Updated last week
- ☆18Sep 12, 2023Updated 2 years ago
- A collection of files related to machine learning force fields☆23Oct 25, 2023Updated 2 years ago
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 3 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆160Mar 16, 2026Updated 3 months ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆173Apr 14, 2025Updated 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.
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆69Feb 5, 2026Updated 4 months ago
- Large language models to generate stable crystals.☆122Jun 18, 2024Updated last year
- Phonons from ML force fields☆25Mar 22, 2026Updated 2 months ago
- Wyckoff Inorganic Crystal Generator Framework☆30Mar 7, 2025Updated last year
- Multi-modal conditioning diffusion model for MOFs generation☆43Nov 19, 2025Updated 6 months ago
- Heat capacity predictor for porous materials☆14Jun 13, 2024Updated 2 years ago
- Python interface for the zeo++ package☆18Jun 1, 2026Updated 2 weeks ago
- An evaluation framework for machine learning models simulating high-throughput materials discovery.☆232Updated this week
- A python library for calculating materials properties from the PES☆143Jun 8, 2026Updated last week
- 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.
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆38Jun 2, 2026Updated last week
- MatAgent: A generative framework for interpretable and targeted inorganic materials design using diffusion-based generation, property pre…☆18Dec 11, 2025Updated 6 months ago
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆30Jun 8, 2026Updated last week
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆14May 5, 2025Updated last year
- Molecular Crystal Representation from Transformer☆16Dec 19, 2024Updated last year
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆101Updated this week
- A universal ML model to predict molecular dynamics trajectories with long time steps☆53Updated this week
- Vote on whether you think predicted crystal structures could be synthesised☆18Jul 29, 2024Updated last year
- A high-performance software package for training and evaluating machine-learned XC functionals using the CIDER framework☆20Apr 9, 2026Updated 2 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- DiffSyn: A Generative Diffusion Approach to Materials Synthesis Planning (Nature Computational Science, 2026)☆42Feb 10, 2026Updated 4 months ago
- Library for Crystal Symmetry in Rust☆75Jun 8, 2026Updated last week
- Machine Learned Interatomic Potential Tools☆25Updated this week
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Jan 19, 2025Updated last year
- Large Language Models Material Miner☆56Mar 21, 2026Updated 2 months ago
- Structural constraint integration in a generative model for the discovery of quantum materials☆31Oct 2, 2025Updated 8 months ago
- Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093☆10Jul 8, 2025Updated 11 months ago