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:
- Phonons from ML force fields☆24Mar 22, 2026Updated 5 months ago
- Structural constraint integration in a generative model for the discovery of quantum materials☆35Oct 2, 2025Updated 10 months ago
- ☆17Apr 22, 2025Updated last year
- Space group equivariant crystal diffusion [NeurIPS 2025]☆27Apr 24, 2026Updated 4 months ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆26Oct 8, 2024Updated last year
- 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.
- Generative framework for crystal structure prediction and de novo generation of inorganic crystals.☆56Jun 30, 2026Updated last month
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆32Jun 8, 2026Updated 2 months ago
- Evaluation of universal machine learning force-fields https://doi.org/10.1021/acsmaterialslett.5c00093☆14Jul 8, 2025Updated last year
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆31Aug 20, 2024Updated 2 years ago
- MatInvent: Accelerating inverse materials design using generative diffusion models with reinforcement learning☆52May 28, 2026Updated 3 months ago
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated 10 months ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆71Feb 5, 2026Updated 6 months ago
- A benchmark for Large Atomistic Models☆20Updated this week
- SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ord…☆15Feb 16, 2026Updated 6 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.
- ☆36Oct 24, 2025Updated 10 months ago
- ☆31Nov 12, 2025Updated 9 months ago
- CrysText: A Generative AI Approach for Text-Conditioned Crystal Structure Generation using LLM☆20Jul 14, 2026Updated last month
- deCIFer is a transformer-based model for crystal structure prediction, generating Crystallographic Information Files (CIFs) directly from…☆16Aug 3, 2026Updated 3 weeks ago
- A text-guided diffusion model for crystal structure generation☆81May 30, 2025Updated last year
- Alchemical machine learning interatomic potentials☆38Nov 8, 2024Updated last year
- A RL framework for Crystal Structure Generation using GRPO☆72May 14, 2026Updated 3 months ago
- Lightweight diffusion transformer for crystalline materials discovery☆26Jul 26, 2026Updated last month
- ☆12Sep 1, 2025Updated 11 months ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Python package containing a variety of distance functions for crystals, as well as evaluation metrics for crystal generation.☆32Jun 22, 2026Updated 2 months ago
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆14Feb 20, 2026Updated 6 months ago
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆19Apr 13, 2026Updated 4 months ago
- More efficient and faster version of pyscal☆31May 1, 2026Updated 3 months ago
- Intelligent Scientific Agent for Materials Design☆24Aug 21, 2026Updated last week
- Cross-platform Optimizer for ML Interatomic Potentials☆25Aug 31, 2025Updated 11 months ago
- ☆17Jul 23, 2026Updated last month
- ☆25Nov 1, 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.
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆17Dec 19, 2025Updated 8 months ago
- ☆14Apr 9, 2025Updated last year
- Flow matching for accelerated simulation of atomic transport☆69Oct 17, 2025Updated 10 months ago
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆84Jun 29, 2026Updated 2 months ago
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆32Sep 28, 2020Updated 5 years ago
- Framework to evaluate UMLFFs on experimental data☆15Jul 25, 2026Updated last month
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 6 months ago