A knowledge graph unifying computational and experimental data for MOFs
☆51Nov 14, 2025Updated 11 months ago
Alternatives and similar repositories for MOF_ChemUnity
Users that are interested in MOF_ChemUnity are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Design of metal-organic frameworks using deep dreaming approaches☆21Dec 2, 2025Updated 10 months ago
- MOFSimBench: Evaluating universal machine learning interatomic potentials in metal-organic framework molecular modeling☆48Dec 17, 2025Updated 9 months ago
- Chemical Data Science and Engineering - University of Toronto☆30Oct 5, 2026Updated last week
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆13Feb 19, 2025Updated last year
- 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
- 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.
- A workflow to create computation-ready metal-organic framework database.☆42Updated this week
- Heat capacity predictor for porous materials☆15Jun 13, 2024Updated 2 years ago
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆15Jul 15, 2020Updated 6 years ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆49Oct 17, 2025Updated 11 months ago
- ☆33Sep 1, 2026Updated last month
- A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials☆34Jul 28, 2025Updated last year
- A framework for few-shot evaluation of language models.☆17Oct 14, 2025Updated last year
- Licensed under Academic Non-Commercial Share-Alike License☆19Sep 3, 2025Updated last year
- This software is a general purpose classical simulation package. Online documentation available at:☆106Oct 6, 2026Updated last week
- 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.
- GPU Monte Carlo Simulation Code with a taste of RASPA☆100Aug 17, 2026Updated last month
- Universal Transfer Learning in Porous Materials, including MOFs.☆126May 23, 2026Updated 4 months ago
- Twin-deep neural network for semi-supervised learning of materials properties☆12Feb 1, 2023Updated 3 years ago
- ☆19Jun 29, 2017Updated 9 years ago
- Lightweight toolkit for de novo molecular generation: SMILES & SELFIES tokenizers, CharRNN / MolGPT / VAE models, training, sampling, and…☆16Jul 11, 2026Updated 3 months ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆166Nov 15, 2025Updated 10 months ago
- A Python package for performing Widom insertion simulations to calculate gas adsorption properties in porous materials☆19Sep 22, 2025Updated last year
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆35Sep 4, 2024Updated 2 years ago
- Dashboard to explore CoRE MOF database☆13Jul 5, 2020Updated 6 years ago
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- An LLM system for the ultra-accurate (TPR=98.8%) prediction of the synthesizability and precursors of crystal structures☆44Aug 7, 2026Updated 2 months ago
- A python package to deconstruct MOFs, COFs or Cages into building units, compute porosity, remove unbound guests and compute cheminfomati…☆26Oct 5, 2026Updated last week
- Benchmarking Large Language Models for Materials Science Tools☆17Sep 18, 2025Updated last year
- A python package for extracting composition-property data from scientific articles for building databases☆17Aug 11, 2026Updated 2 months ago
- Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts☆77Nov 13, 2024Updated last year
- Codes developed for AI-assisted interactive experiment-learning evolution of fluorescent covalent organic frameworks☆19Jun 4, 2025Updated last year
- ☆36Oct 24, 2025Updated 11 months ago
- ☆37Mar 4, 2024Updated 2 years ago
- Large Language Models Material Miner☆59Mar 21, 2026Updated 6 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 set of tools to rank molecular pairs by their similarity to components of co-crystal reported in the CSD.☆11Jan 14, 2022Updated 4 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆56Oct 22, 2023Updated 2 years ago
- Multi-modal conditioning diffusion model for MOFs generation☆43Nov 19, 2025Updated 10 months ago
- Python library for the construction of porous materials using topology and building blocks.☆95Aug 9, 2026Updated 2 months ago
- AiiDA workflows for the LSMO laboratory at EPFL☆12Sep 8, 2023Updated 3 years ago
- Implementation for Flexible MOF Generation with Torsion-Aware Flow Matching☆19Feb 13, 2026Updated 8 months ago
- Modification of RASPA2 code for GC-TMMC simulations☆14Apr 18, 2024Updated 2 years ago