☆49Jul 3, 2025Updated last year
Alternatives and similar repositories for CrysBFN
Users that are interested in CrysBFN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks☆28Aug 28, 2025Updated last year
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆31Aug 20, 2024Updated 2 years ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆74Feb 5, 2026Updated 8 months ago
- Implementation for Flexible MOF Generation with Torsion-Aware Flow Matching☆19Feb 13, 2026Updated 8 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
- 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.
- ☆31Sep 29, 2026Updated 2 weeks ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆186Apr 14, 2025Updated last year
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆26Oct 8, 2024Updated 2 years ago
- ☆36Oct 24, 2025Updated 11 months ago
- The code used in the work “Inverse Design of Promising Alloys for Electrocatalytic CO2 Reduction via Generative Graph Neural Networks Com…☆18Jun 28, 2025Updated last year
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated last year
- [NeurIPS 2025 Spotlight] E2Former: An Efficient and Equivariant Transformer with Linear-Scaling Tensor Products☆31Sep 2, 2026Updated last month
- ☆31Apr 3, 2025Updated last year
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- [arXiv 2025] Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey☆52Nov 6, 2025Updated 11 months ago
- Space group equivariant crystal diffusion [NeurIPS 2025]☆28Apr 24, 2026Updated 5 months ago
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆44Apr 13, 2026Updated 6 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆167Mar 16, 2026Updated 7 months ago
- [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆43Feb 11, 2025Updated last year
- A text-guided diffusion model for crystal structure generation☆82May 30, 2025Updated last year
- A Benchmarking Framework for Crystal GNNs☆22Jan 3, 2024Updated 2 years ago
- [OPEN Survey] A collection of papers on XRD-based crystal structure identification and analysis.☆26Jul 14, 2026Updated 3 months ago
- Crystal structure prediction using neural network potential and age-fitness Pareto genetic algorithm☆13May 5, 2025Updated last year
- 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.
- Multi-modal conditioning diffusion model for MOFs generation☆43Nov 19, 2025Updated 10 months ago
- Gaussain plane-wave neural operator (GPWNO) is a novel approach to predict the electron density of molecule, combining two types of the b…☆29Sep 19, 2024Updated 2 years ago
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆42Dec 17, 2024Updated last year
- Active learning for Record-Setting Alloy☆18Apr 26, 2025Updated last year
- ☆25Jan 30, 2025Updated last year
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆61Jun 4, 2024Updated 2 years ago
- Large language models, physics-based modeling, experimental measurements: the trinity of data-scarce learning of polymer properties☆15Sep 4, 2025Updated last year
- Benchmark for generative models for materials☆55Sep 15, 2026Updated last month
- AI for crystal materials☆206Updated this week
- 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.
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆45May 30, 2024Updated 2 years ago
- A Foundation Model for Crystal Structure Generation and Prediction☆153Mar 31, 2026Updated 6 months ago
- Deep learning model for predicting adsorption isotherms of MOFs☆18Oct 5, 2022Updated 4 years ago
- Deep PXRD Crystallography with CDVAE.☆32Jun 27, 2025Updated last year
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆380Aug 14, 2024Updated 2 years ago
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆19Oct 7, 2026Updated last week
- The latest stable release for the crystal structure prediction code FUSE☆13Oct 28, 2025Updated 11 months ago