deeptime

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training very slow on GPU

4

Hi I am trying to reproduce your results in `Alanine_dipeptide_multiple_files` on a single NVIDIA GeForce GTX 1080 Ti GPU and it took ~ 5h to finish all 10 attempts. I...

jiayeguo

With the latest version of [tensorflow (2.0)](https://www.tensorflow.org/api_docs/python/tf), the function tf.to_float() is no longer implemented. This results in an error when compiling the model in the 1D_double_well.ipynb tutorial: > AttributeError: module...

Ginok1

Bug report

1

https://github.com/markovmodel/deeptime/blob/c88ed3f0fa4da7149dd6526fe8ea997fad56b0fa/vampnet/examples/Alanine_dipeptide_multiple_files.ipynb#L317 from line 314 to line 317 A stupid mistake

Kitakotori

tensorflow version issue

1

Hi, can you add some version information in the Readme file? Because the latest tensorflow and keras will encounter errors when running the examples.

Owen2015

Isn't the gradient (1.5 * r - 2.0) * rvec / rnorm in line 84 of vampnet/vampnet /data_generator.py supposed to be the (1.5 * r**2 - 2.0*r) * rvec /...

gongshuai0606