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markovmodel / deeptime

Deep learning meets molecular dynamics.
GNU Lesser General Public License v3.0
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Is there data available? #24

Closed zhouhao-learning closed 6 years ago

zhouhao-learning commented 6 years ago

Hello, I am paying attention to your paper "VAMPnets for deep learning of molecular kinetics". I want to see what the data should look like first. So, is it possible to provide the download address of the data?

amardt commented 6 years ago

Hey, you can access the data we use with the module data_generator in our package. The example notebooks show how to use it. The toy models will be generated on the fly. For alanine dipeptide you need additionally the mdshare package for downloading the data from our server. Unfortunately, we are not allowed to share the NTL9 data, which is kindly provided by the D.E. Shaw for science purposes. If you are interested in these you have to contact them by yourself.

Hope this helps! Best, Andreas

zhouhao-learning commented 6 years ago

@amardt ok, Thanks you very much