Capturing Long-Range Intramolecular Interactions with TDiMS for Interpretable Property Prediction
- Lisa Hamada
- Akihiro Kishimoto
- et al.
- 2025
- NeurIPS 2025
Publications
5 results for Masataka Hirose
Enabling Accurate and Interpretable Property Prediction with TDiMS in Large Molecules
- Lisa Hamada
- Akihiro Kishimoto
- et al.
- 2025
- NeurIPS 2025
Molecular Descriptor for Global Relationship of intra-Molecular Substructures
- Lisa Hamada
- Akihiro Kishimoto
- et al.
- 2024
- MRS Fall Meeting 2024
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network
- Akihiro Kishimoto
- Hiroshi Kajino
- et al.
- 2023
- NeurIPS 2023
PatCID: Large-scale chemical-structure database from images in patent documents
- Ingmar Meijer
- Valery Weber
- et al.
- 2023
- ACS Fall 2023