[PyEMMA 2017] Featurization and TICA
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8 سال پیش
-
PyEMMA (EMMA = Emma's Markov
PyEMMA (EMMA = Emma's Markov Model Algorithms) is an open source Python/C package for analysis of extensive molecular dynamics simulations. This video was recorded during the Computer Tutorial in Markov Modeling 2017 at Freie Universität Berlin.
In the third lecture, Guillermo Pérez-Hernández shows how to extract selected features from molecular dynamics data and how to perform dimensionality reduction with the time-lagged independent component analysis (TICA). Feliks Nüske afterwards explains the theory behind TICA and the variational approach to conformational dynamics.
In the third lecture, Guillermo Pérez-Hernández shows how to extract selected features from molecular dynamics data and how to perform dimensionality reduction with the time-lagged independent component analysis (TICA). Feliks Nüske afterwards explains the theory behind TICA and the variational approach to conformational dynamics.
8 سال پیش
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