Published May 28, 2021 | Version 1.0
Dataset Open

MELLODDY TUNER release v2 public data

Authors/Creators

  • 1. Merck KGaA

Description

A public dataset from ChEMBL (v25) for MELLODDY TUNER release v2.

Data extracted from ChEMBL and PubChem (input archives), and processed with https://github.com/melloddy/MELLODDY-TUNER release v2.

Data can be used for technical tests, template for your own dataset and machine learning with SparseChem (https://github.com/melloddy/SparseChem).

Files

ChEMBL25_cls_reg_input.zip

Files (7.4 GB)

Name Size Download all
md5:b4c101bf58fbde347c91e6d660753a9b
18.4 MB Preview Download
md5:1c830e07e5bdf01e5b49f97ecdec80b2
766.3 MB Preview Download
md5:7427b09a9897c915f357c9f79e512977
502.8 MB Preview Download
md5:1b16ff46ab6b90e979a4118fa3b628fb
6.1 GB Preview Download