There is a newer version of the record available.

Published September 26, 2021 | Version v1
Dataset Open

Chembl Filtered Dataset for TorchDrug

Creators

  • 1. Mila

Description

A preprocessed ChEMBL dataset containing 456K molecules with 1310 kinds of diverse and extensive biochemical assays from paper "Strategies for Pre-training Graph Neural Networks" used by TorchDrug library.

Files

Files (16.1 MB)

Name Size Download all
md5:c689a31314e2f5f173ec5b107f0bfd57
16.1 MB Download