AquaMOF

AquaMOF is a Python-based AI toolkit for predicting two key performance indicators for AWH-ready MOFs:

• Water Uptake: Predicts adsorption performance under defined RH and T conditions

• Water Stability: Classifies or quantifies hydrolytic stability in humid environments

Atmospheric water harvesting is a fast-growing frontier in clean water technologies. However, identifying MOFs that combine high uptake with structural resilience remains a key bottleneck. AquaMOF addresses this challenge by enabling rapid, large-scale pre-screening of MOF candidates — before experimental synthesis or detailed simulations.

With AquaMOF, researchers can now focus on designing and validating top-performing frameworks, rather than expending resources on fragile or inefficient candidates.

✅ Why Use AquaMOF?

Whether you're targeting AWH under low relative humidity or searching for robust water-stable frameworks, AquaMOF delivers precision predictions to accelerate your material discovery efforts — without costly simulations or trial-and-error.

⚙️ Installation

It is strongly recommended to perform the installation inside a virtual environment.

python -m venv <venvir_name>
source <venvir_name>/bin/activate

pip install aquamof

💻 Browser-Based AquaMOF

A web-accessible version of AquaMOF

📖 Usage example

Check the tutorial.

⚠️ Problems?

You can start by opening an issue or communicate via email.

📰 Citing AquaMOF

Please consider citing this publication or use the following BibTex.

Show BibTex entry

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📑 License

AQUAMOF is released under the GNU General Public License v3.0 only.