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Workshop Timetable

Day 1 - Fri 23rd Oct

Day 2 - Sat 24th Oct

  • 9:30 - 10:30 Lectures: Introduction to Markov state modeling and PyEMMA (www.pyemma.org)
  • 10:30 - 11:00 Coffee break
  • 11:00 - 12:30 Practical - Reading MD data, Featurizing, time-lagged indpendent component analysis (TICA) and Clustering
  • 12:30 - 13:30 Lunch
  • 13:30 - 15:00 Practical - Markov state model estimation and analysis
  • 15:00 - 15:30 Coffee breach
  • 15:30 - 17:00 Practical - Coarse-graining of Markov state models, Hidden Markov models and Transition path theory (TPT)
  • 17:00 Finish

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