Tsuda Lab.
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Masato Sumita
Researcher (RIKEN)
RIKEN
Latest
Automatic Rietveld refinement by robotic process automation with RIETAN-FP
QCforever: A Quantum Chemistry Wrapper for Everyone to Use in Black-Box Optimization
Understanding the evolution of a de novo molecule generator via characteristic functional group monitoring
De novo creation of a naked eye–detectable fluorescent molecule based on quantum chemical computation and machine learning
Integrating Incompatible Assay Data Sets with Deep Preference Learning
Efficient Search for Energetically Favorable Molecular Conformations against Metastable States via Gray-Box Optimization
Discovery of polymer electret material via de novo molecule generation and functional group enrichment analysis
Black-Box Optimization for Automated Discovery
NMR-TS: de novo molecule identification from NMR spectra
Pushing property limits in materials discovery via boundless objective-free exploration
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