Implementation for Flexible MOF Generation with Torsion-Aware Flow Matching
☆18Feb 13, 2026Updated 5 months ago
Alternatives and similar repositories for MOFFlow-2
Users that are interested in MOFFlow-2 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☆27Aug 28, 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…☆28Sep 19, 2024Updated last year
- ☆23Jul 3, 2025Updated last year
- ☆35Oct 24, 2025Updated 8 months ago
- A Python package to run adsorption simulation in nanoporous materials using Machine Learning Potentials and other methods powered by ASE☆20Updated this 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.
- Implementation for AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction☆16Feb 15, 2026Updated 5 months ago
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆41Dec 17, 2024Updated last year
- Benchmark for generative models for materials☆52Apr 27, 2026Updated 2 months ago
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆74Mar 5, 2026Updated 4 months ago
- ☆35Updated this week
- ☆15Nov 29, 2023Updated 2 years ago
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆12Nov 22, 2024Updated last year
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆187Oct 29, 2024Updated last year
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆12Feb 19, 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.
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling☆44Dec 17, 2025Updated 7 months ago
- [NeurIPS 2025 Spotlight] E2Former: An Efficient and Equivariant Transformer with Linear-Scaling Tensor Products☆29Feb 16, 2026Updated 5 months ago
- [arXiv 2025] Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey☆50Nov 6, 2025Updated 8 months ago
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆30Aug 20, 2024Updated last year
- ☆37Mar 4, 2024Updated 2 years ago
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 2 years ago
- Web-based dashboard for managing multiple Claude Code sessions across local and remote machines☆17Apr 7, 2026Updated 3 months ago
- Structure-based out-of-distribution (OOD) material property prediction: a benchmark study☆15May 17, 2025Updated last year
- ☆15Feb 20, 2026Updated 5 months ago
- 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.
- A python package for extracting composition-property data from scientific articles for building databases☆16Jun 24, 2026Updated 3 weeks ago
- Generative framework for crystal structure prediction and de novo generation of inorganic crystals.☆52Jun 30, 2026Updated 2 weeks ago
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆44May 30, 2024Updated 2 years ago
- Coarse-grained Diffusion for Metal-Organic Framework Design☆64Jun 18, 2024Updated 2 years ago
- Python interface for the zeo++ package☆18Jun 25, 2026Updated 3 weeks ago
- 🌟 [NeurIPS '25 Spotlight] Official implement of QHFlow for DFT Hamiltonian prediction☆30Dec 6, 2025Updated 7 months ago
- Multi-modal conditioning diffusion model for MOFs generation☆43Nov 19, 2025Updated 8 months ago
- This is the official implementation of the paper: Fractional Denoising for 3D Molecular Pre-training☆22Mar 30, 2024Updated 2 years ago
- ☆23Feb 10, 2025Updated last year
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- "Graph Convolutions Enrich the Self-Attention in Transformers!" NeurIPS 2024☆27Mar 19, 2025Updated last year
- Plugin for Blender software allowing the representation of cristallographic structures stored in CIF files.☆21Dec 22, 2023Updated 2 years ago
- A Generative Diffusion Model for Crystal Symmetry☆28Apr 13, 2026Updated 3 months ago
- Benchmarking Large Language Models for Materials Science Tools☆16Sep 18, 2025Updated 10 months ago
- A workflow to create computation-ready metal-organic framework database.☆41Updated this week
- ☆25Jan 30, 2025Updated last year
- ☆18Feb 1, 2023Updated 3 years ago