Published July 26, 2021
| Version v1.0
Dataset
Open
D-GIN dataset, config and model weight files
Description
the dataset, configuration and model weight files to reproduce the results of the 'Improved lipophilicity and aqueous solubility prediction using composite graph neural networks' manuscript.
Files
configs.zip
Files
(5.6 GB)
| Name | Size | Download all |
|---|---|---|
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md5:9f754bbd08ff346af1dfad9e86e499b0
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1.7 MB | Preview Download |
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md5:6c8e088cfca9cacdaed5600438daaf13
|
884.5 kB | Preview Download |
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md5:2476628fac2b2775a0036776a925ec0f
|
5.1 GB | Preview Download |
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md5:130bad8bad2cc87aafdcc1c0517ee7d9
|
468.1 MB | Preview Download |
|
md5:55f759b1ff3ecf18beadab0d8f7bf209
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8.6 MB | Preview Download |
|
md5:19ddb060f95b358639a9e1dd79ecf177
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76.6 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software documentation: https://github.com/spudlig/graph_networks (URL)