choderalab/assaytools

Autoprotocol example gives basically zero with huge variance delG prediction in simplest case.

sonyahanson opened this issue · 3 comments

sonyahanson commented

Both Greg and I have run autoprotocol, and did not get initial promising results with the example. Has anyone gotten better results?

delg

jchodera commented

Can you give a trace of the fit to the data?

jchodera commented

This really hasn't been tested on anything because it was so slow, so it's possible there are bugs.

sonyahanson commented

Currently the fit to the data is not output, so we'll have to add some code to check that.