Published May 30, 2025 | Version v0
Publication Open

Unified physio-thermodynamic descriptors via learned CO2 adsorption properties in metal-organic frameworks (IsothermNet) Data

Authors/Creators

  • 1. EDMO icon Massachusetts Institute of Technology

Description

The full dataset and IsothermNet model weights (for CO2 adsorption at 50 bars) for the paper "Unified physio-thermodynamic descriptors via learned CO2 adsorption properties in metal-organic frameworks" (published in npj Computational Materials).

Link to paper: https://www.nature.com/articles/s41524-025-01700-8

Files

full_dataset.zip

Files (115.8 MB)

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md5:e3f33bbe573c56660edecd9fa54fa2e8
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Additional details

Dates

Accepted
2025-06-13
Manuscript accepted for publication

Software

Repository URL
https://github.com/emilylin3/IsothermNet
Programming language
Python , Jupyter Notebook
Development Status
Active