An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
☆26Oct 8, 2024Updated last year
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 last year
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆175Apr 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
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆44Apr 13, 2026Updated 3 months ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆69Feb 5, 2026Updated 6 months ago
- ☆36Oct 24, 2025Updated 9 months ago
- ☆24Jul 3, 2025Updated last year
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆375Aug 14, 2024Updated last year
- Space group equivariant crystal diffusion [NeurIPS 2025]☆26Apr 24, 2026Updated 3 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆165Mar 16, 2026Updated 4 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆143Mar 3, 2026Updated 5 months ago
- ☆31Nov 12, 2025Updated 8 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- FTCP code☆37Oct 11, 2023Updated 2 years ago
- ☆11Jan 17, 2025Updated last year
- AI for crystal materials☆156Updated this week
- Flow matching for accelerated simulation of atomic transport☆69Oct 17, 2025Updated 9 months ago
- ☆25Aug 19, 2024Updated last year
- ☆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…☆186Oct 29, 2024Updated last year
- Wyckoff Inorganic Crystal Generator Framework☆29Mar 7, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- A Foundation Model for Crystal Structure Generation and Prediction☆152Mar 31, 2026Updated 4 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 last year
- 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☆51May 28, 2026Updated 2 months ago
- CrysText: A Generative AI Approach for Text-Conditioned Crystal Structure Generation using LLM☆20Jul 14, 2026Updated 3 weeks ago
- Structural constraint integration in a generative model for the discovery of quantum materials☆34Oct 2, 2025Updated 10 months ago
- AI Skills Library for Materials Science & Computational Physics☆16Feb 9, 2026Updated 6 months ago
- ☆22Feb 16, 2024Updated 2 years ago
- ☆20Nov 19, 2025Updated 8 months ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Large Language Models Material Miner☆56Mar 21, 2026Updated 4 months ago
- ☆15Jul 22, 2026Updated 2 weeks ago
- A text-guided diffusion model for crystal structure generation☆80May 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☆19May 10, 2026Updated 3 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