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☆52Sep 10, 2024Updated last year
- A Reinforcement Framework for Inverse Design of MOFs☆34Aug 7, 2024Updated last year
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆160Nov 15, 2025Updated 5 months ago
- Create new MOFs by combining generative AI and simulation on HPC☆29Mar 20, 2026Updated 3 weeks ago
- Basic sanity checks for MOFs.☆35Updated this week
- 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.
- CoRE-MOF as a Python package☆22Nov 21, 2024Updated last year
- A system for rapid identification and analysis of metal-organic frameworks☆68Dec 7, 2025Updated 4 months ago
- ☆36Sep 18, 2025Updated 7 months ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆24Apr 9, 2026Updated last week
- Python library for the construction of porous materials using topology and building blocks.☆84May 28, 2025Updated 10 months ago
- ☆20Nov 19, 2025Updated 5 months ago
- A Benchmarking Framework for Crystal GNNs☆21Jan 3, 2024Updated 2 years ago
- Reproduction of CGCNN for predicting material properties☆25Apr 6, 2026Updated last week
- GPU Monte Carlo Simulation Code with a taste of RASPA☆81Updated this week
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Deep learning model for predicting adsorption isotherms of MOFs☆16Oct 5, 2022Updated 3 years ago
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Aug 26, 2025Updated 7 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 5 months ago
- Mirror of the NIST ISODB API (https://adsorption.nist.gov/isodb)☆17Feb 27, 2026Updated last month
- Example scripts using the CSD Python API☆90Updated this week
- A molecular simulation package integrating MLFFs in MOFs for DAC☆45Oct 17, 2025Updated 6 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
- Chemical Data Science and Engineering - University of Toronto☆22Nov 21, 2025Updated 4 months ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Python interface for the zeo++ package☆18Aug 15, 2025Updated 8 months ago
- The architector python package - for 3D metal complex design. C22085☆84Feb 14, 2026Updated 2 months ago
- Heat capacity predictor for porous materials☆14Jun 13, 2024Updated last year
- Predict and Inverse design for metal-organic framework with large-language models (llms)☆113May 15, 2025Updated 11 months ago
- materials science related animations☆13Jan 9, 2025Updated last year
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆17Feb 6, 2025Updated last year
- For the conversion of crystal systems (as cifs) to LAMMPS inputs☆27Sep 13, 2021Updated 4 years ago
- Tools for the creation of reaction energy diagrams☆65Updated this week
- Licensed under Academic Non-Commercial Share-Alike License☆19Sep 3, 2025Updated 7 months ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆140Mar 3, 2026Updated last month
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 4 years 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 last year
- ☆25Jan 22, 2025Updated last year
- A fully featured ASE calculator for xTB☆24Oct 21, 2024Updated last year
- Python Multiscale Thermochemistry Toolbox (pMuTT)☆48Jul 13, 2025Updated 9 months ago
- ☆12Oct 21, 2024Updated last year