Cunliang Geng comments

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                                            Cunliang Geng

feat(workflow): add workflow to handle stale issues and PR

Thanks for the reminder. I created issue #324 for this PR :-) Have a look please.

Add gh action to notify and close stale issues and PRs

yes, these values can be set.

regression scatter plot crashes

@sonjageorgievska I cannot reproduce the error with simple test examples. So I guess there might be problem with your input data, such as the ground truth data.

regression scatter plot crashes

I used the unittest examples, they work well.

regression scatter plot crashes

The unittest generates everything from the raw pdb and pssm data.

cannot generate hdf5 for some complexes

You'r right, Nico, It's hard to provide more info in `pdb2sql`. I agree to remove that warning and check the return value of `get` in DeepRank if necessary.

grid size is fixed when mapOnFly = false

@LilySnow Should put this info to documentation.

can we report performance for each mini-batch

- [ ] batch level performance - [ ] epoch level performance

data preprocessing

@LilySnow Should update the doc with these information.

upload missing code

Yes, I should have it on alcazar. But I don't think it's really necessary to provide these scripts considering we already have the PSSMGen package.