Published January 16, 2023 | Version v2
Dataset Open

Rapid Design of Top-Performing Metal-Organic Frameworks with Qualitative Representations of Building Blocks

  • 1. Department of Mechanical Engineering, Northwestern University, USA
  • 2. Department of Chemical and Biological Engineering

Description

Dataset used in the publication of Rapid Design of Top-Performing Metal-Organic Frameworks with Qualitative Representations of Building Blocks. The paper is published at npj Computational Materials (https://www.nature.com/articles/s41524-023-01125-1)

 

May 19, 2023:

- Updated the format in CSV files to be comma-separated.

- Updated the building block labels.

- Updated README.txt to include additional information.

Files

alpha_ads_data_and_CO2_WC_data.csv

Files (1.3 GB)

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md5:ad84a82a2625b4a221673bdbc40b433d
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