Published June 29, 2026 | Version v1
Dataset Open

Inverse design of frustrated Lewis pairs: Resource bundles

Authors/Creators

  • 1. ROR icon École Polytechnique Fédérale de Lausanne

Description

This archive contains the data and trained model associated with:

Shubhajit Das, Ruben Laplaza, Thanapat Worakul and Clemence Corminboeuf,
"Inverse design of frustrated Lewis pairs for direct catalytic CO2
hydrogenation: refining and expanding design rules", Chemical Science, 2026,
17, 7071-7081. DOI: 10.1039/D5SC09530A

Files

data.zip

Files (3.5 MB)

Name Size Download all
md5:4a221e53ab319d331d121a2225027f51
2.7 MB Preview Download
md5:371bae9101fcf2adc0205f96083ec4b8
801.1 kB Preview Download
md5:3d27489b1722caca94b352f4c0deacb3
2.6 kB Preview Download

Additional details

Related works

Is part of
Publication: 10.1039/D5SC09530A (DOI)

Software

Repository URL
https://github.com/lcmd-epfl/ga_flp
Programming language
Python
Development Status
Inactive