Enhancing Molecular Expressiveness through Multi-View Representations
- Indra Priyadarsini S
- Seiji Takeda
- et al.
- 2024
- NeurIPS 2024
Publications
Date
Featured collections
Popular topics
20 results for Lisa Hamada
Improving Performance Prediction of Electrolyte Formulations with Transformer-based Molecular Representation Model
- 2024
- ICML 2024
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network
- Akihiro Kishimoto
- Hiroshi Kajino
- et al.
- 2023
- NeurIPS 2023
AI powered, automated discovery of polymer membranes for carbon capture
- Ronaldo Giro
- Hsianghan Hsu
- et al.
- 2023
- npj Computational Materials
Accelerating material design with the generative toolkit for scientific discovery
- Matteo Manica
- Jannis Born
- et al.
- 2023
- npj Computational Materials
Molecular Descriptors Accounting for Intramolecular Interactions and Application to Chemical Property Prediction
- Lisa Hamada
- Seiji Takeda
- et al.
- 2022
- ACS Fall 2022
Accelerate Polymer Membrane Discovery for CO2 Separation with Graph-Based Generative Model and Molecular Dynamics Simulation
- Hsianghan Hsu
- Akihiro Kishimoto
- et al.
- 2021
- MRS Fall Meeting 2021
Molecular Descriptors Based on Global Structure Information of Substructures
- Lisa Hamada
- Seiji Takeda
- et al.
- 2022
- JSAI 2022
SELF-BART : A Transformer-based Molecular Representation Model using SELFIES
- Indra Priyadarsini S
- Seiji Takeda
- et al.
- 2024
- arXiv
Improving Performance Prediction of Electrolyte Formulations with Transformer-based Molecular Representation Model
- 2024
- arXiv