Prediction method for weak interaction energy of intermolecular non-covalent bond in spiro-containing fluorenyl molecular crystal and training method of prediction model for weak interaction energy of intermolecular non-covalent bond in spiro-containing fluorenyl molecular crystal
An interaction energy and molecular crystal technology, applied in the fields of organic chemistry, optoelectronic materials, and computational chemistry, can solve the problems of shortening prediction time and large consumption of computing resources, and achieve the effect of reducing computing costs, reducing computing costs, and shortening computing time.
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[0050] In order to further understand the contents of the present invention, the molecular non-covalent bonds in the molecular non-covalent bonds in the molecular non-covalent bonds in which the molecular non-covalent bonds in the present invention can be predicted, and the model training method scheme according to the present invention will be described in detail. The specific techniques are explained and the illustrations are further illustrated further.
[0051] First, select the use of data-based scientific calculations Tensorflow as the development of the skeleton, followed by the integrated development environment platform Pycharm as a tool written code, the programming language is currently the Python language that is best for developing a deep learning project.
[0052] like figure 1 As shown, the present invention is a predictive model training method for the weak interaction energy between molecular non-covalent bonds in fluorenyl molecular crystals containing a spiro ri...
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