Panayotis Manganaris

Hello. I'm a recent plotly convert with particular appreciation for the express interface. I think it's entirely possible to produce publication quality figures using only express and some layout adjustments....

openbabel python import from conda environment fails due to undefined symbol

4

## Environment Information Open Babel version: 3.1.1 (compiled from source with cmake, gui off, eigen off, swig on, python bindings on) install prefix set to .local/bin/openbabel-3.1.1 swig version 4.0.2 conda...

#253 appears to have resulted in a useful fix for some more intricate dependency name resolution issues, however I worry about the efficacy of relying entirely on cf-graph. I think...

[feature] improved document hashing and duplicate checking

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Hello! This issue is a follow-up to my post here: _Originally posted by @pmiam in https://github.com/papis/papis/discussions/549#discussioncomment-9260541_ My PR branch is on my fork. I've not passed all the tests yet....

Print train/val/test sets with labels

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I see Brian incorporated my friend Habibur's quick fix for the printout bug earlier this weekend. I've gone further to change the alignn.graph.StructureDataset components and the batching functions to allow...

GridFSStore collection has no database attribute

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Any atomate2 TaskDocument larger than the document limit cannot spill into gridfs additional stores successfully because the gridfs collection has no database property Traceback (truncated): ``` Traceback (most recent call...

how to best address a need for lookarounds?

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I am a user of the `hledger` tool. For some time my user experience has been limited by the fact that `regex-tdfa` does not support the negative lookahead. My goal...

[feature] supporting lookarounds

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I want to try adding support for regex lookarounds to the query engine. Their main use is to match transactions that contain specified tag values and no others. As Simon...

very minor miscellaneous fixes I've been sitting on for months.

Minor doctor enhancement intended to catch empty key values. I integrated it into the missing keys check and perhaps that is questionable placement, but it is conceptually simple and I've...