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gph82/mdciao: 0.0.9

Authors: Guillermo Pérez-Hernández; Sofi Tiwari;

gph82/mdciao: 0.0.9

Abstract

[relase 0.0.8 was yanked because of small bug, we repeat the release notes here] Most important changes: Python 3.12 support added (see note on installation) Consensus labels can now be used to streamline analysis across different sequences to define neighborhoods to define sequence-independent sites to refine interface selections (see below) as plot labels and as "sort_by" in plots API BREAKs Definition of interfaces is made easier with refactor: frag_idxs_group_1, frag_idxs_group_2' become interface_selection_1, interface_selection_2 new parameter AA_selection, accepts flexible amino-acid selection self_interface operates differently, simply deleting self-contacts if not set to True Some added returned values of public methods (e.g. repframes and flareplot_attrs) might break existing code, but its easy to adapt One new notebooks and new example datasets See the full log for all changes Relevant PRs [python-package] add py312 by @gph82 in https://github.com/gph82/mdciao/pull/50 Select by grn by @gph82 in https://github.com/gph82/mdciao/pull/51 [nomenclature._sort_all_consensus_labels] API CHANGE return also sort… by @gph82 in https://github.com/gph82/mdciao/pull/52 Full Changelog: https://github.com/gph82/mdciao/compare/0.0.7...0.0.9

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
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Average