Code for: Unraveling learning characteristics of transformer models for molecular design

Roth, Jannik Philipp; Bajorath, Jürgen

doi:10.5281/zenodo.16322841

Published July 22, 2025 | Version v1

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Code for: Unraveling learning characteristics of transformer models for molecular design

1. Department of Life Science Informatics and Data Science, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry Rheinische Friedrich-Wilhelms-Universität Friedrich-Hirzebruch-Allee 5/6 53115 Bonn Germany

The following repository contains the results and analysis as presented in 'Unraveling learning characteristics of transformer models for molecular design' submitted

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sequence_based_drug_design_transformer.zip

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Programming language: Python

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License: Creative Commons Attribution 4.0 International

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Created: July 23, 2025
Modified: July 23, 2025

Code for: Unraveling learning characteristics of transformer models for molecular design

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sequence_based_drug_design_transformer.zip

Files (3.0 GB)

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