☆11Jan 17, 2025Updated last year
Alternatives and similar repositories for CrystalDiffusion
Users that are interested in CrystalDiffusion are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- Composition-Conditioned Crystal GAN pytorch code☆41Feb 28, 2022Updated 4 years ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Jun 22, 2023Updated 3 years ago
- ☆30Nov 12, 2025Updated 8 months ago
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆42Apr 13, 2026Updated 3 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Diffusion Probabilistic CDVAE☆26Dec 7, 2023Updated 2 years ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆26Oct 8, 2024Updated last year
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- Scalable graph neural networks for materials property prediction☆64Feb 2, 2026Updated 5 months ago
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- ☆25Aug 19, 2024Updated last year
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆142Mar 3, 2026Updated 4 months ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆173Apr 14, 2025Updated last year
- GAN(生成对抗网络)图片生成☆14Dec 29, 2019Updated 6 years 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.
- MDM☆58Feb 9, 2024Updated 2 years ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆69Feb 5, 2026Updated 5 months ago
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆30Aug 20, 2024Updated last year
- A repository for implementing graph network models based on atomic structures.☆111Aug 8, 2024Updated last year
- A Generative Diffusion Model for Crystal Symmetry☆28Apr 13, 2026Updated 3 months ago
- ☆35Oct 24, 2025Updated 8 months ago
- Materials Transformers☆25Feb 4, 2023Updated 3 years ago
- Automatic generation of crystal structure descriptions.☆140Jun 15, 2026Updated last month
- ☆11Sep 24, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- MODNet: a framework for machine learning materials properties☆112May 2, 2025Updated last year
- Fast Genetic Programming☆11Oct 10, 2019Updated 6 years ago
- Wyckoff Inorganic Crystal Generator Framework☆29Mar 7, 2025Updated last year
- Text-based modeling of materials.☆36Mar 12, 2026Updated 4 months ago
- [NeurIPS 2023] Reward-Directed Conditional Diffusion: Provable Distribution Estimation and Reward Improvement☆18Oct 30, 2024Updated last year
- The official implementation of NeurIPS2024 paper "SubgDiff: A Subgraph Diffusion Model to Improve Molecular Representation Learning."☆11May 28, 2025Updated last year
- Official implementation of MultiMat (Newton 2025)☆24Mar 10, 2025Updated last year
- PINNs-MPF is a comprehensive framework designed for simulating interface dynamics using Physics-Informed Neural Networks (PINNs). Leverag…☆23Updated this week
- Python package to interact with high-dimensional representations of the chemical elements☆52Jul 14, 2026Updated last week
- 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.
- Efficient GPU-computing simulation platform for differentiable phase field model☆25Apr 14, 2026Updated 3 months ago
- Python and Fortran Numerical Implementations of the Polya Enumeration Theorem☆13Nov 9, 2016Updated 9 years ago
- ☆17Mar 24, 2026Updated 3 months ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆373Aug 14, 2024Updated last year
- [ICML 2022] Conditional GANs with Auxiliary Discriminative Classifier☆30Jun 11, 2023Updated 3 years ago
- ☆12Feb 2, 2024Updated 2 years ago
- Counterfactual Inference by Machine Learning and Attribution Models☆15Aug 24, 2023Updated 2 years ago