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@edkerk edkerk released this 17 Jul 10:25
· 58 commits to main since this release
v2.8.4
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Learn about vigilant mode.
  • feat:
    • metDeltaG and rxnDeltaG fields, I/O via YAML. (solves #280)
    • getAllowedBounds has optional runParallel-flag, true by default.
  • fix:
    • parseScores and predictLocalization handling of data from DeepLoc 2.0. (solves #310)
    • randomSampling check feasibility after changing bounds to (-)Inf, as suggested in #438.
    • checkModelStruct no longer checks for duplicate metSmiles with different metabolite names, as it often occurs that these canonical SMILES are non-unique due to e.g. stereochemistry.
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