A transformer based large-scale molecular representation model
- Indra Priyadarsini S
- Seiji Takeda
- et al.
- 2023
- MRS Fall Meeting 2023
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45 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
TDiMS : A Topological Distance based Intra-Molecular Substructure Descriptor for Improved Machine Learning Predictions
- 2025
- AAAI 2025
LLM-Fusion: A Novel Multimodal Fusion Model for Accelerated Material Discovery
- Onur Boyar
- Indra Priyadarsini S
- et al.
- 2025
- AAAI 2025
Multi-View Mixture-of-Experts for Predicting Molecular Properties Using SMILES, SELFIES, and Graph-Based Representations
- 2024
- NeurIPS 2024
SELF-BART : A Transformer-based Molecular Representation Model using SELFIES
- Indra Priyadarsini S
- Seiji Takeda
- et al.
- 2024
- NeurIPS 2024
Enhancing Molecular Expressiveness through Multi-View Representations
- Indra Priyadarsini S
- Seiji Takeda
- et al.
- 2024
- NeurIPS 2024
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
- Victor Shirasuna
- Eduardo Almeida Soares
- et al.
- 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