TDiMS descriptor code for: Revisiting Molecular Descriptors with TDiMS for Interpretable Intramolecular Interactions Based on Substructure Pairs

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Authors: Lisa Hamada, Akihiro Kishimoto, Kohei Miyaguchi, Masataka Hirose, Junta Fuchiwaki, Indra Priyadarsini, Seiji Takeda
Cited by: 1

Abstract

This record contains the minimal archived code package for the TDiMS (Topological Distance of intraMolecular Substructures) descriptor used in the associated study, “Revisiting Molecular Descriptors with TDiMS for Interpretable Intramolecular Interactions Based on Substructure Pairs”. It includes the core implementation and the minimal supporting source files required for descriptor generation. This archived package corresponds to the TDiMS code contained in the `IBM/materials` repository and is provided as a minimal software snapshot for citation and reproducibility. The code is distributed under the Apache License 2.0 as part of the `IBM/materials` repository.

Publication details

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