Latest

• ChemTSv2: Functional molecular design using de novo molecule generator
• De novo creation of a naked eye–detectable fluorescent molecule based on quantum chemical computation and machine learning
• Machine learning to reveal hidden risk combinations for the trajectory of posttraumatic stress disorder symptoms
• CompRet: a comprehensive recommendation framework for chemical synthesis planning with algorithmic enumeration
• NMR-TS: de novo molecule identification from NMR spectra
• MP-LAMP: Parallel Detection of Statistically Significant Multi-Loci Markers on Cloud Platforms
• ChemTS: an efficient python library for de novo molecular generation
• RNA inverse folding using Monte Carlo tree search
• MDTS: automatic complex materials design using Monte Carlo tree search