heid-lab/sr-smiles: v0.1.1

Zenodo (CERN European Organization for Nuclear Research) 2026 Open access

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Authors: Charlotte Gerhaher, Sina Sadeghi
DOI: 10.5281/zenodo.18953065
Cited by: 0

Abstract

Initial release of sr-SMILES, a Python library for transforming chemical reactions into superimposed reaction (sr) SMILES representations for sequence-based machine learning tasks.

Fields of Study & Subjects

Computational Drug Discovery Methods Machine Learning in Materials Science History and advancements in chemistry

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
11 March 2026
Language
EN