Split a MOF into its building blocks.
☆25Dec 24, 2022Updated 3 years ago
Alternatives and similar repositories for moffragmentor
Users that are interested in moffragmentor are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- An ecosystem for digital reticular chemistry☆53Sep 10, 2024Updated last year
- A Reinforcement Framework for Inverse Design of MOFs☆35Aug 7, 2024Updated last year
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆164Nov 15, 2025Updated 7 months ago
- Create new MOFs by combining generative AI and simulation on HPC☆29May 30, 2026Updated last month
- Basic sanity checks for MOFs.☆35Apr 13, 2026Updated 2 months ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- CoRE-MOF as a Python package☆24Nov 21, 2024Updated last year
- A system for rapid identification and analysis of metal-organic frameworks☆70Dec 7, 2025Updated 7 months ago
- ☆36Sep 18, 2025Updated 9 months ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆25Apr 9, 2026Updated 2 months ago
- Python library for the construction of porous materials using topology and building blocks.☆90Jun 22, 2026Updated 2 weeks ago
- ☆20Nov 19, 2025Updated 7 months ago
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- GPU Monte Carlo Simulation Code with a taste of RASPA☆91Jun 28, 2026Updated last week
- Reproduction of CGCNN for predicting material properties☆27Updated this week
- 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.
- Deep learning model for predicting adsorption isotherms of MOFs☆16Oct 5, 2022Updated 3 years ago
- ☆12Nov 23, 2020Updated 5 years ago
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆14Aug 26, 2025Updated 10 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
- The MOF website for property prediction and community engagement.☆39Oct 24, 2025Updated 8 months ago
- Mirror of the NIST ISODB API (https://adsorption.nist.gov/isodb)☆17Feb 27, 2026Updated 4 months ago
- Example scripts using the CSD Python API☆93Jun 24, 2026Updated 2 weeks ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆48Oct 17, 2025Updated 8 months ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- Python interface for the zeo++ package☆18Jun 25, 2026Updated 2 weeks ago
- Heat capacity predictor for porous materials☆15Jun 13, 2024Updated 2 years ago
- Predict and Inverse design for metal-organic framework with large-language models (llms)☆117May 15, 2025Updated last year
- materials science related animations☆13Jan 9, 2025Updated last year
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- The architector python package - for 3D metal complex design. C22085☆92Feb 14, 2026Updated 4 months ago
- For the conversion of crystal systems (as cifs) to LAMMPS inputs☆27Sep 13, 2021Updated 4 years ago
- Licensed under Academic Non-Commercial Share-Alike License☆20Sep 3, 2025Updated 10 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆142Mar 3, 2026Updated 4 months ago
- 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.
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 4 years ago
- Tools for the creation of reaction energy diagrams☆84May 29, 2026Updated last month
- Chemical Data Science and Engineering - University of Toronto☆24Nov 21, 2025Updated 7 months ago
- 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
- ☆25Jan 22, 2025Updated last year
- A fully featured ASE calculator for xTB☆25Oct 21, 2024Updated last year
- Python Multiscale Thermochemistry Toolbox (pMuTT)☆48Jul 13, 2025Updated 11 months ago