Crystal Host-Guided Generation
☆19Apr 24, 2025Updated last year
Alternatives and similar repositories for chggen
Users that are interested in chggen are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆13Jun 29, 2025Updated last year
- Phonons from ML force fields☆24Mar 22, 2026Updated 7 months ago
- diffusion models for material generation☆15May 14, 2026Updated 5 months ago
- Structural constraint integration in a generative model for the discovery of quantum materials☆35Oct 2, 2025Updated last year
- Accelerating superconductor discovery through tempered deep learning of the electron-phonon spectral function☆11Aug 20, 2024Updated 2 years ago
- 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.
- ☆17Apr 22, 2025Updated last year
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆26Oct 8, 2024Updated 2 years ago
- Crystal structure inpainting☆14Aug 10, 2026Updated 2 months ago
- Space group equivariant crystal diffusion [NeurIPS 2025]☆28Apr 24, 2026Updated 6 months ago
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆31Aug 20, 2024Updated 2 years ago
- Generative framework for crystal structure prediction and de novo generation of inorganic crystals.☆60Jun 30, 2026Updated 3 months ago
- Alchemical machine learning interatomic potentials☆39Nov 8, 2024Updated last year
- Lightweight diffusion transformer for crystalline materials discovery☆28Oct 4, 2026Updated 3 weeks ago
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆34Updated this week
- 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.
- A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning i…☆11Apr 22, 2026Updated 6 months ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated last year
- MatInvent: Accelerating inverse materials design using generative diffusion models with reinforcement learning☆54Sep 15, 2026Updated last month
- Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093☆14Jul 8, 2025Updated last year
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆75Feb 5, 2026Updated 8 months ago
- SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ord…☆15Feb 16, 2026Updated 8 months ago
- Menagerie of generative AI models for materials design☆15Nov 11, 2025Updated 11 months ago
- A benchmark for Large Atomistic Models☆20Oct 19, 2026Updated last week
- Electronic Structure Guided Inverse Design Using Generative Models☆14Jul 7, 2026Updated 3 months 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.
- ☆31Sep 29, 2026Updated last month
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆21Apr 13, 2026Updated 6 months ago
- Framework to evaluate UMLFFs on experimental data☆17Jul 25, 2026Updated 3 months ago
- SlaKoNet: A Unified Slater-Koster Tight-Binding Framework Using Neural Network Infrastructure for the Periodic Table https://pubs.acs.org…☆15Aug 26, 2026Updated 2 months ago
- CrysText: A Generative AI Approach for Text-Conditioned Crystal Structure Generation using LLM☆22Jul 14, 2026Updated 3 months ago
- A RL framework for Crystal Structure Generation using GRPO☆73May 14, 2026Updated 5 months ago
- A text-guided diffusion model for crystal structure generation☆82May 30, 2025Updated last year
- ☆21May 25, 2026Updated 5 months ago
- deCIFer is a transformer-based model for crystal structure prediction, generating Crystallographic Information Files (CIFs) directly from…☆16Oct 2, 2026Updated 3 weeks ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- A collection of files related to machine learning force fields☆25Oct 25, 2023Updated 3 years ago
- ☆28Aug 20, 2025Updated last year
- Benchmark metrics for crystal structure prediction☆15Aug 1, 2024Updated 2 years ago
- Python package containing a variety of distance functions for crystals, as well as evaluation metrics for crystal generation.☆33Oct 22, 2026Updated last week
- ☆14Mar 19, 2025Updated last year
- Data and python scripts for journal publication on "Accelerating High-Throughput Phonon Calculations via Machine Learning Universal Poten…☆10Dec 2, 2024Updated last year
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆88Updated this week