Published March 10, 2021
| Version v1
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Additional downloads for "Data set and source code for generative multi-target compound modeling"
Creators
- 1. Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität Bonn
Description
The provided download is an extension of "Data set and source code for generative multi-target compound modeling".
The archive contains all 200M sampled smiles, their fingerprint, and descriptors. It also provides the fine-tuned model for every epoch.
For more details, the source code and the data set please refer to the GitHub repository (github.com/tblaschke/reinvent-multi-target).
Files
Files
(37.9 GB)
| Name | Size | Download all |
|---|---|---|
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md5:30bd0ca04d1ce405cfd27cbb9bcce470
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4.3 GB | Download |
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md5:60e52e97a2ce4910117a5d126bb4ed39
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28.6 GB | Download |
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md5:e5b6e99e3cc26cbcfbc320fd0b2332bd
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5.0 GB | Download |