Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials ...
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Crystallography-informed AI achieves high performance in predicting novel crystal structures
A research team from the Institute of Statistical Mathematics and Panasonic Holdings Corporation has developed a machine learning algorithm, ShotgunCSP, that enables fast and accurate prediction of ...
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Machine learning workflow enables faster, more reliable organic crystal structure prediction
Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals and design of functional materials. In pharmaceuticals, crystal structures ...
A research team from the Institute of Statistical Mathematics and Panasonic Holdings Corporation has developed a machine learning algorithm, ShotgunCSP, that enables fast and accurate prediction of ...
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