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  2. A cloud service that enables the search for molecular structures with desired physical properties Developing new materials with database-less MI M-EVO® (HPC Systems Co., Ltd.)
A cloud service that enables the search for molecular structures with desired physical properties Developing new materials with database-less MI M-EVO®-M-EVO®
A cloud service that enables the search for molecular structures with desired physical properties Developing new materials with database-less MI M-EVO®-HPC Systems Co., Ltd.

A cloud service that enables the search for molecular structures with desired physical properties Developing new materials with database-less MI M-EVO®
HPC Systems Co., Ltd.

About This Product

■Product overview

Covering experiments, calculations, and data science in one tool M-EVO® is a tool that allows a person in charge of development and experimentation to carry out research and development efficiently by performing the three roles of experimentation, calculation, and data science. M-EVO® uses our original algorithm to search for and propose a variety of molecular structures with desired physical properties. It is possible to consider multiple target physical properties, calculate scores that include indicators such as synthesis potential and solvent solubility, and search for practical molecular structures.

■Development flow image using M-EVO®

In order to effectively utilize MI in materials research and development, it is important for three parties: those in charge of development experiments, those in charge of calculations, and data scientists to cooperate. In reality, it is not easy for these three parties to discuss on the same level. The person in charge of development is always looking at the progress of the experiment and thinking about what to do. Those in charge of calculations tend to make rigorous discussions based on ideal systems. Data scientists tend to require large amounts of homogeneous data. The difficult task of aligning the vectors of these three parties in a timely manner can be achieved using M-EVO.

■Features of M-EVO®

・Software for solving inverse problems ・Can be searched without using a database ・Explore diverse molecular structures ・It is also possible to search for surrounding structures of arbitrary molecular structures. -Easy operation with GUI. No knowledge of Python, Gaussian, data science, or Linux required ・Start small by using the cloud. User database is on your PC ・High-speed molecular structure search possible using machine learning ・Narrowing down through experiments using Bayesian optimization

■M-EVO® functions

・Prepare seed molecules ・Create a regression model using machine learning ・Physical properties that can be handled ・Easy to operate GUI

  • Product

    A cloud service that enables the search for molecular structures with desired physical properties Developing new materials with database-less MI M-EVO®

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M-EVO®

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