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vvoelz / biceps

Bayesian inference of conformational populations
https://github.com/vvoelz/biceps
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mini-biceps for training parameters in lnPF calculation #65

Closed yunhuige closed 4 years ago

yunhuige commented 4 years ago

We should have a good tutorial/example of how we train our model to obtain the prior distribution of those 6 parameters. I remembered we once had a Jupiter notebook and it should be somewhere in the voelzlab repository. We need find it, run it, and add documents for the tutorial. People are very interested in this and I think it will be very helpful. Then add this to the manuscript if it can fit anywhere.

vvoelz commented 4 years ago

I told Davide I would pack up the scripts to do this, and put it in a notebook. I should have some time to do it this week (?). I plan to create a branch that creates a HDX-PF-forward-model directory inside BICePs_2.0

vvoelz commented 4 years ago

Okay after hearing from Rob about all the new changes to biceps, to avoid confusion I’m going to put the forward model posterior sampling scripts in a separate repo: https://github.com/vvoelz/HDX-forward-model . We can share with others that from that, and incorporate it later in biceps

vvoelz commented 4 years ago

Okay the https://github.com/vvoelz/HDX-forward-model repo is ready to go, so I'm going to close up this thread