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