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
Publications
51 results for Seiji Takeda
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural Network
- Akihiro Kishimoto
- Hiroshi Kajino
- et al.
- 2023
- NeurIPS 2023
Pre-Treatment Methods for Machine Learning in Finer UV Spectrum Inference
- 2023
- MRS Fall Meeting 2023
Multi-Modal Foundation Model for Material Discovery with Conversational User Interface
- Seiji Takeda
- Akihiro Kishimoto
- et al.
- 2023
- MRS Fall Meeting 2023
A transformer based large-scale molecular representation model
- 2023
- MRS Fall Meeting 2023
Autoencoder based on Graph and Recurrent Neural Networks and Application to Property Prediction
- Akihiro Kishimoto
- Hiroshi Kajino
- et al.
- 2023
- MRS Fall Meeting 2023
AI powered, automated discovery of polymer membranes for carbon capture
- Ronaldo Giro
- Hsianghan Hsu
- et al.
- 2023
- npj Computational Materials
Foundation Model for Material Science
- Seiji Takeda
- Akihiro Kishimoto
- et al.
- 2023
- AAAI 2023
Accelerating material design with the generative toolkit for scientific discovery
- Matteo Manica
- Jannis Born
- et al.
- 2023
- npj Computational Materials
Automated Artificial-intelligence Inverse Design of Polymer Membranes for CO2 Capture and Separation
- Ronaldo Giro
- Hsianghan Hsu
- et al.
- 2022
- MRS Fall Meeting 2022