Published June 5, 2024 | Version v1.0.0
Dataset Open

RDB19-Rad

Authors/Creators

  • 1. ROR icon Massachusetts Institute of Technology
  • 2. ROR icon BASF (Germany)

Description

This dataset contains supporting information for our published work, "Accurately Predicting Barrier Heights for Radical Reactions in Solution using Deep Graph Networks". Please see the README below for a detailed summary of every item included in this repository. 

Files

README.md

Files (12.3 GB)

Name Size
md5:ae160c9a4b1107a0c635dbc5acbd419e
31.4 MB Download
md5:a9e6f8238e7b4e115a42e74c9c392306
887.3 kB Download
md5:71a41abd84478d1f63e8baa4c87cb9b4
12.2 GB Download
md5:402ef4a4677f3f0acc001762a8acb086
6.8 kB Preview Download
md5:ea7f804859cecd88c508ec6677569ff9
15.5 MB Download

Additional details

Funding

BASF (Germany)
MIT award 88803720