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v0.2 #311

Merged
merged 56 commits into from
Sep 26, 2024
Merged

v0.2 #311

merged 56 commits into from
Sep 26, 2024

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thomashopf
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thomashopf and others added 30 commits March 8, 2021 20:51
ecs = pairs.add_mixture_proability -> ecs = pairs.add_mixture_probability(
sklearn is an alias for scikit-learn
Support a3m format in existing alignment protocol
thomashopf and others added 26 commits May 11, 2023 14:11
bump to python3.11
update GH actions
V0.2

Most notable fixes:

* MMTF phaseout by RCSB, now loading bCIF structures instead
* Many small regressions that have accumulated over the years. Should now install cleanly with up-to-date versions of numpy and pandas. Packages that depend on specific versions are pinned in setup.py
fix KeyError due to absence of secondary structure sections
@thomashopf thomashopf merged commit 88978ee into master Sep 26, 2024
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5 participants