Published March 10, 2021
| Version v1
Other
Open
Additional downloads for "Data set and source code for generative multi-target compound modeling"
Authors/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).