[ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
☆73Feb 5, 2026Updated 8 months ago
Alternatives and similar repositories for DiffCSP-PP
Users that are interested in DiffCSP-PP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆185Apr 14, 2025Updated last year
- ☆31Sep 29, 2026Updated last week
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆31Aug 20, 2024Updated 2 years ago
- ☆36Oct 24, 2025Updated 11 months 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
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- A Foundation Model for Crystal Structure Generation and Prediction☆153Mar 31, 2026Updated 6 months ago
- Wyckoff Inorganic Crystal Generator Framework☆29Mar 7, 2025Updated last year
- ☆49Jul 3, 2025Updated last year
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆26Oct 8, 2024Updated 2 years ago
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆380Aug 14, 2024Updated 2 years ago
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆44Apr 13, 2026Updated 5 months ago
- A Generative Diffusion Model for Crystal Symmetry☆29Apr 13, 2026Updated 5 months ago
- Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks☆28Aug 28, 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.
- Source code for generating materials with 20 space groups using PGCGM☆33Dec 15, 2022Updated 3 years ago
- Diffusion Probabilistic CDVAE☆25Dec 7, 2023Updated 2 years ago
- A text-guided diffusion model for crystal structure generation☆82May 30, 2025Updated last year
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆321Apr 13, 2026Updated 5 months ago
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆13May 5, 2025Updated last year
- AI for crystal materials☆206Updated this week
- A Large Language Model of the CIF format for Crystal Structure Generation☆167Mar 16, 2026Updated 6 months ago
- Space group equivariant crystal diffusion [NeurIPS 2025]☆28Apr 24, 2026Updated 5 months ago
- Structural constraint integration in a generative model for the discovery of quantum materials☆35Oct 2, 2025Updated last year
- 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.
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 4 months ago
- EquiformerV3: Scaling Efficient, Expressive, and General SE(3)-Equivariant Graph Attention Transformers☆124Apr 17, 2026Updated 5 months ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆41Jun 1, 2024Updated 2 years ago
- [arXiv 2025] Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey☆52Nov 6, 2025Updated 11 months ago
- Original implementation of CSPML☆29Dec 22, 2024Updated last year
- MatterSim: A deep learning atomistic model across elements, temperatures and pressures.☆601Aug 20, 2026Updated last month
- Generative framework for crystal structure prediction and de novo generation of inorganic crystals.☆57Jun 30, 2026Updated 3 months ago
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Multi-modal conditioning diffusion model for MOFs generation☆43Nov 19, 2025Updated 10 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆122Mar 9, 2026Updated 7 months ago
- Tensor Atomic/Edge Cluster Expansion☆71Updated this week
- ☆11Jan 17, 2025Updated last year
- Molecular Crystal Representation from Transformer☆17Dec 19, 2024Updated last year
- Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings☆48May 15, 2023Updated 3 years ago
- [NeurIPS 2025 Spotlight] E2Former: An Efficient and Equivariant Transformer with Linear-Scaling Tensor Products☆31Sep 2, 2026Updated last month
- Different utilities used by our group☆39Sep 7, 2026Updated last month