Coarse-grained Diffusion for Metal-Organic Framework Design
☆63Jun 18, 2024Updated last year
Alternatives and similar repositories for MOFDiff
Users that are interested in MOFDiff are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Deep learning model for predicting adsorption isotherms of MOFs☆16Oct 5, 2022Updated 3 years ago
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 4 years ago
- CoRE-MOF as a Python package☆24Nov 21, 2024Updated last year
- ☆18Feb 1, 2023Updated 3 years ago
- Basic sanity checks for MOFs.☆35Apr 13, 2026Updated last month
- 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 MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks☆25Aug 28, 2025Updated 9 months ago
- Software for the text mining of the synthesis method, solvent, topology, organic linker, and metal precursor of metal-organic frameworks.☆22Mar 20, 2022Updated 4 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆65Updated this week
- Licensed under Academic Non-Commercial Share-Alike License☆20Sep 3, 2025Updated 9 months ago
- Use time-splits for Materials Project entries for generative modeling benchmarking.☆13Mar 12, 2026Updated 2 months ago
- ☆25Mar 8, 2023Updated 3 years ago
- ☆23Jul 3, 2025Updated 11 months ago
- Equivariant Diffusion for Crystal Structure Prediction (ICML 2024)☆29Aug 20, 2024Updated last year
- ☆19Jun 29, 2017Updated 8 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆12May 28, 2026Updated last week
- ☆22Dec 15, 2025Updated 5 months ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆173Apr 14, 2025Updated last year
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆186Oct 29, 2024Updated last year
- molecular mechanics optimisation☆18Aug 28, 2023Updated 2 years ago
- A system for rapid identification and analysis of metal-organic frameworks☆69Dec 7, 2025Updated 6 months ago
- ☆34Oct 18, 2024Updated last year
- Create new MOFs by combining generative AI and simulation on HPC☆29May 30, 2026Updated last week
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆24Apr 9, 2026Updated 2 months ago
- 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.
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 2 years ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆122May 23, 2026Updated 2 weeks ago
- [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆43Feb 11, 2025Updated last year
- ☆37Mar 4, 2024Updated 2 years ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆118Mar 9, 2026Updated 3 months ago
- ☆73Apr 7, 2021Updated 5 years ago
- ☆11Updated this week
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆62Oct 22, 2024Updated last year
- ☆30Nov 12, 2025Updated 6 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆18Feb 21, 2024Updated 2 years ago
- Python library for the construction of porous materials using topology and building blocks.☆88May 30, 2026Updated last week
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 2024Updated 2 years ago
- Large Language Models Material Miner☆56Mar 21, 2026Updated 2 months ago
- Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.☆98Jan 5, 2026Updated 5 months ago
- Heat capacity predictor for porous materials☆14Jun 13, 2024Updated last year
- ☆15Sep 14, 2023Updated 2 years ago