Published August 1, 2022 | Version v1
Dataset Open

MELLODDY TUNER release v3 public data

Authors/Creators

  • 1. Merck KGaA

Description

A public dataset from ChEMBL (v25) for MELLODDY TUNER release v3.

Data extracted from ChEMBL (LICENSE attached), and processed with https://github.com/melloddy/MELLODDY-TUNER release v3.

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

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