Published June 5, 2024
| Version v1.0.0
Dataset
Open
RDB19-Rad
Creators
-
1.
Massachusetts Institute of Technology
-
2.
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 | Download all |
|---|---|---|
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md5:ae160c9a4b1107a0c635dbc5acbd419e
|
31.4 MB | Download |
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md5:a9e6f8238e7b4e115a42e74c9c392306
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887.3 kB | Download |
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md5:71a41abd84478d1f63e8baa4c87cb9b4
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12.2 GB | Download |
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md5:402ef4a4677f3f0acc001762a8acb086
|
6.8 kB | Preview Download |
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md5:ea7f804859cecd88c508ec6677569ff9
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15.5 MB | Download |
Additional details
Funding
- BASF (Germany)
- MIT award 88803720