A transformer based large-scale molecular representation model
- Indra Priyadarsini S
- Seiji Takeda
- et al.
- 2023
- MRS Fall Meeting 2023
Publications
This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
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42 results for Seiji Takeda
Autoencoder based on Graph and Recurrent Neural Networks and Application to Property Prediction
- Akihiro Kishimoto
- Hiroshi Kajino
- et al.
- 2023
- MRS Fall Meeting 2023
Improving Performance Prediction of Electrolyte Formulations with Transformer-based Molecular Representation Model
- 2024
- ICML 2024
A Multi-View Mixture-of-Experts based on Language and Graphs for Molecular Properties Prediction
- 2024
- ICML 2024
A Multi-View approach based on Graphs and Chemical Language Foundation Model for Molecular Properties Prediction
- Eduardo Almeida Soares
- Akihiro Kishimoto
- et al.
- 2024
- AAAI 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
Accelerating materials discovery using artificial intelligence, high performance computing and robotics
- Edward O. Pyzer-Knapp
- Jed W. Pitera
- et al.
- 2022
- 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