This is a conditionally generative model for crystal structures based on a modified version of CDVAE.
☆42Apr 13, 2026Updated 3 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
- ☆35Oct 24, 2025Updated 8 months ago
- A tool for constructing accurate machine learning force fields in moir\'e systems☆19Feb 12, 2026Updated 5 months ago
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆11Aug 18, 2023Updated 2 years ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆173Apr 14, 2025Updated last year
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆372Aug 14, 2024Updated last year
- AI for crystal materials☆150Jul 11, 2026Updated last week
- Diffusion Probabilistic CDVAE☆26Dec 7, 2023Updated 2 years ago
- ☆23Jul 3, 2025Updated last year
- Wyckoff Inorganic Crystal Generator Framework☆29Mar 7, 2025Updated last year
- continuum model for twist bilayer MoTe2 and twist bilayer MoTe2☆19May 7, 2025Updated last year
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆142Mar 3, 2026Updated 4 months ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Jun 6, 2022Updated 4 years ago
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆14May 5, 2025Updated 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.
- Structural constraint integration in a generative model for the discovery of quantum materials☆34Oct 2, 2025Updated 9 months ago
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- ☆30Nov 12, 2025Updated 8 months ago
- LASP python library including scripts and auto-NNtrain workflow☆20Nov 16, 2023Updated 2 years ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆69Feb 5, 2026Updated 5 months ago
- Different utilities used by our group☆37Feb 6, 2026Updated 5 months ago
- APEX: Alloy Properties EXplorer using simulations☆45Jul 7, 2026Updated 2 weeks ago
- ☆11Feb 1, 2025Updated last year
- Python and Fortran Numerical Implementations of the Polya Enumeration Theorem☆13Nov 9, 2016Updated 9 years ago
- 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.
- Active learning for Record-Setting Alloy☆16Apr 26, 2025Updated last year
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 3 years ago
- Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties☆14Sep 4, 2025Updated 10 months ago
- A Foundation Model for Crystal Structure Generation and Prediction☆149Mar 31, 2026Updated 3 months ago
- A repository for the LLM-Prop implementation☆57Jan 31, 2026Updated 5 months ago
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- A Generative Diffusion Model for Crystal Symmetry☆28Apr 13, 2026Updated 3 months ago
- MODNet: a framework for machine learning materials properties☆112May 2, 2025Updated last year
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆30Aug 20, 2024Updated last year
- Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures☆35Dec 19, 2024Updated last year
- PyTorch/PyG implementation of M3GNet☆11Sep 11, 2023Updated 2 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- The Bond valence site energy calculator☆26Aug 21, 2025Updated 10 months ago
- ☆20Nov 19, 2025Updated 8 months ago
- An automatic tool utilizing multi agent framework CrewAI and MCP for VASP calculation.☆108Oct 18, 2025Updated 9 months ago