Modelling results of the Papyrus dataset (Leiden)

This repository relies on:

• The Papyrus dataset as primary data source,

Papyrus version	ChEMBL version	Zenodo	4TU	Google Drive
05.4	29	❌	✔️	✔️
05.5	30	✔️	❌	✔️
05.6	31	✔️	❌	❌

• The Papyrus-scripts for data processing and modelling.

⚠️ We recommend checking the Papyrus-scripts repo about the different means of downloading the data.

Results of manuscript

Scripts used to generate the results to be present in our draft manuscript can be found under the folder manuscript.

Results of preprint

Scripts used to generate the results presented in our preprint can be found under the folder preprint.