☆35Oct 24, 2025Updated 8 months ago
Alternatives and similar repositories for CrystalFlow
Users that are interested in CrystalFlow are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆42Apr 13, 2026Updated 3 months ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆69Feb 5, 2026Updated 5 months ago
- A Generative Diffusion Model for Crystal Symmetry☆28Apr 13, 2026Updated 3 months ago
- Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks☆27Aug 28, 2025Updated 10 months ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆173Apr 14, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆26Oct 8, 2024Updated last year
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆30Aug 20, 2024Updated last year
- ☆30Nov 12, 2025Updated 8 months ago
- Space group equivariant crystal diffusion [NeurIPS 2025]☆24Apr 24, 2026Updated 2 months ago
- Implementation for Flexible MOF Generation with Torsion-Aware Flow Matching☆18Feb 13, 2026Updated 5 months ago
- A Foundation Model for Crystal Structure Generation and Prediction☆149Mar 31, 2026Updated 3 months ago
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆187Oct 29, 2024Updated last year
- ☆23Jul 3, 2025Updated last year
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- Generative framework for crystal structure prediction and de novo generation of inorganic crystals.☆52Jun 30, 2026Updated 3 weeks ago
- MatInvent: Accelerating inverse materials design using generative diffusion models with reinforcement learning☆50May 28, 2026Updated last month
- Structure-based out-of-distribution (OOD) material property prediction: a benchmark study☆15May 17, 2025Updated last year
- deCIFer is a transformer-based model for crystal structure prediction, generating Crystallographic Information Files (CIFs) directly from…☆15Updated this week
- Wyckoff Transformer: Generation of Symmetric Crystals [ICML 2025]☆29Jun 8, 2026Updated last month
- Benchmark for generative models for materials☆52Apr 27, 2026Updated 2 months ago
- Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.☆25Sep 9, 2022Updated 3 years ago
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆30Jan 3, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- [arXiv 2025] Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey☆50Nov 6, 2025Updated 8 months ago
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆16Feb 15, 2026Updated 5 months ago
- ☆15Apr 8, 2026Updated 3 months ago
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆14May 5, 2025Updated last year
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 2 months ago
- Benchmarking Large Language Models for Materials Science Tools☆16Sep 18, 2025Updated 10 months ago
- A benchmark for Large Atomistic Models☆20Jul 13, 2026Updated last week
- This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.☆19Feb 7, 2019Updated 7 years ago
- AI for crystal materials☆151Jul 11, 2026Updated last week
- 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.
- Structural constraint integration in a generative model for the discovery of quantum materials☆34Oct 2, 2025Updated 9 months ago
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆312Apr 13, 2026Updated 3 months ago
- The first diffusion model for inorganic materials that explicitly incorporates electronic structure information☆20Jun 10, 2026Updated last month
- MatterSim: A deep learning atomistic model across elements, temperatures and pressures.☆576Jun 17, 2026Updated last month
- Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tune…☆1,768Updated this week
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆22Jun 28, 2024Updated 2 years ago
- ☆11Jan 17, 2025Updated last year