This is a conditionally generative model for crystal structures based on a modified version of CDVAE.
☆41Oct 22, 2025Updated 5 months ago
Alternatives and similar repositories for Con-CDVAE
Users that are interested in Con-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:
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆26Oct 8, 2024Updated last year
- ☆31Oct 24, 2025Updated 5 months ago
- A tool for constructing accurate machine learning force fields in moir\'e systems☆16Feb 12, 2026Updated last month
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆160Apr 14, 2025Updated 11 months ago
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆11Aug 18, 2023Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆366Aug 14, 2024Updated last year
- ☆11Jan 17, 2025Updated last year
- Diffusion Probabilistic CDVAE☆26Dec 7, 2023Updated 2 years ago
- ☆23Jul 3, 2025Updated 8 months ago
- AI for crystal materials☆121Mar 22, 2026Updated last week
- Wyckoff Inorganic Crystal Generator Framework☆28Mar 7, 2025Updated last year
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆14May 5, 2025Updated 10 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆140Mar 3, 2026Updated 3 weeks ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Jun 6, 2022Updated 3 years ago
- NordVPN Special Discount Offer • AdSave on top-rated NordVPN 1 or 2-year plans with secure browsing, privacy protection, and support for for all major platforms.
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- Structural constraint integration in a generative model for the discovery of quantum materials☆30Oct 2, 2025Updated 5 months ago
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆29Aug 20, 2024Updated last year
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆64Feb 5, 2026Updated last month
- APEX: Alloy Properties EXplorer using simulations☆42May 7, 2025Updated 10 months ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 2 years ago
- A Foundation Model for Crystal Structure Generation and Prediction☆136Mar 20, 2026Updated last week
- A repository for the LLM-Prop implementation☆53Jan 31, 2026Updated last month
- LASP python library including scripts and auto-NNtrain workflow☆20Nov 16, 2023Updated 2 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- ☆26Nov 12, 2025Updated 4 months ago
- ☆11Feb 1, 2025Updated last year
- Python and Fortran Numerical Implementations of the Polya Enumeration Theorem☆12Nov 9, 2016Updated 9 years ago
- This repository contains the official PyTorch implementation of MatRIS.☆29Nov 7, 2025Updated 4 months ago
- Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties☆14Sep 4, 2025Updated 6 months ago
- MODNet: a framework for machine learning materials properties☆106May 2, 2025Updated 10 months ago
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Jun 1, 2024Updated last year
- ☆20Nov 19, 2025Updated 4 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- PyTorch/PyG implementation of M3GNet☆11Sep 11, 2023Updated 2 years ago
- The Bond valence site energy calculator☆24Aug 21, 2025Updated 7 months ago
- ☆18Sep 12, 2023Updated 2 years ago
- Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures☆33Dec 19, 2024Updated last year
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆15Dec 19, 2025Updated 3 months ago
- ☆26Aug 19, 2024Updated last year
- Graph deep learning library for materials☆526Updated this week