Enhancing Molecular Expressiveness through Multi-View RepresentationsIndra Priyadarsini SSeiji Takedaet al.2024NeurIPS 2024
Improving Performance Prediction of Electrolyte Formulations with Transformer-based Molecular Representation ModelIndra Priyadarsini SVidushi Sharmaet al.2024ICML 2024
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural NetworkAkihiro KishimotoHiroshi Kajinoet al.2023NeurIPS 2023
SELF-BART : A Transformer-based Molecular Representation Model using SELFIESIndra Priyadarsini SSeiji Takedaet al.2024arXiv
Improving Performance Prediction of Electrolyte Formulations with Transformer-based Molecular Representation ModelIndra Priyadarsini SVidushi Sharmaet al.2024arXiv