An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
☆26Oct 8, 2024Updated 2 years ago
Alternatives and similar repositories for cond-cdvae
Users that are interested in cond-cdvae are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆31Aug 20, 2024Updated 2 years ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆185Apr 14, 2025Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆33Dec 15, 2022Updated 3 years ago
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆44Apr 13, 2026Updated 5 months ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆73Feb 5, 2026Updated 8 months ago
- ☆36Oct 24, 2025Updated 11 months ago
- ☆49Jul 3, 2025Updated last year
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆380Aug 14, 2024Updated 2 years ago
- Space group equivariant crystal diffusion [NeurIPS 2025]☆28Apr 24, 2026Updated 5 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆167Mar 16, 2026Updated 6 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆145Mar 3, 2026Updated 7 months ago
- ☆31Sep 29, 2026Updated last 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.
- FTCP code☆37Oct 11, 2023Updated 3 years ago
- ☆11Jan 17, 2025Updated last year
- Flow matching for accelerated simulation of atomic transport☆69Oct 17, 2025Updated 11 months ago
- ☆25Aug 19, 2024Updated 2 years ago
- AI for crystal materials☆206Updated this week
- ☆12Feb 14, 2024Updated 2 years ago
- Diffusion Probabilistic CDVAE☆25Dec 7, 2023Updated 2 years ago
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆185Oct 29, 2024Updated last year
- Wyckoff Inorganic Crystal Generator Framework☆29Mar 7, 2025Updated 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.
- A Foundation Model for Crystal Structure Generation and Prediction☆153Mar 31, 2026Updated 6 months ago
- Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.☆24Sep 3, 2024Updated 2 years ago
- Large language models to generate stable crystals.☆122Jun 18, 2024Updated 2 years ago
- MatInvent: Accelerating inverse materials design using generative diffusion models with reinforcement learning☆53Sep 15, 2026Updated 3 weeks ago
- CrysText: A Generative AI Approach for Text-Conditioned Crystal Structure Generation using LLM☆20Jul 14, 2026Updated 2 months ago
- Structural constraint integration in a generative model for the discovery of quantum materials☆35Oct 2, 2025Updated last year
- AI Skills Library for Materials Science & Computational Physics☆19Feb 9, 2026Updated 8 months ago
- ☆22Feb 16, 2024Updated 2 years ago
- ☆20Nov 19, 2025Updated 10 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Large Language Models Material Miner☆58Mar 21, 2026Updated 6 months ago
- ☆15Jul 22, 2026Updated 2 months ago
- A text-guided diffusion model for crystal structure generation☆82May 30, 2025Updated last year
- Crystal graph attention neural networks for materials prediction☆31Jul 18, 2023Updated 3 years ago
- [JCheminfo] Ualign: pushing the limit of template-free retrosynthesis prediction with unsupervised SMILES alignment☆18May 10, 2026Updated 5 months ago
- Composition-Conditioned Crystal GAN pytorch code☆41Feb 28, 2022Updated 4 years ago
- A Continuous Action Space Tree search for INverse desiGn (CASTING)☆13Dec 8, 2023Updated 2 years ago