Published October 4, 2021
| Version 0.1
Dataset
Open
Multi-Fingerprint Dataset
Description
This dataset contains 24 molecular fingerprints calculated for a large set of structures taken from MCULE, SAVI, DUDE, LITPCBA, DEKOIS and MUV. Each zip file contains different fingerprints calculated for the molecules in the database. Each file is a CSV file starting with the molecule name/ID and followed by a string of 0s and 1s.
Files
Files
(10.8 GB)
| Name | Size | Download all |
|---|---|---|
|
md5:d4ed319323ba342e95b37495d56c3a18
|
189.2 MB | Download |
|
md5:44178a6d917833a57dc76e298e03e3de
|
2.7 GB | Download |
|
md5:8dd73ca8a37f86b92c3730d4c2d8e597
|
4.7 GB | Download |
|
md5:6d5ba22b507e24a2d21f0edd09825266
|
1.4 GB | Download |
|
md5:5ed4d78193c70017aee1857bda51ff57
|
33.3 MB | Download |
|
md5:057b29caaddad9bcadc25abca7324612
|
438.2 MB | Download |
|
md5:4354aa820f236d93ebc694decdefdb65
|
1.3 GB | Download |
|
md5:9861c29b1d47d98f7624fa2d6e28a2ef
|
39.2 MB | Download |