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Published August 8, 2022 | Version 1.0.2
Software Open

ale94mleon/MolDrug: 1.0.2 - 2022.08.08

Authors/Creators

  • 1. Universität des Saarlandes

Description

Removed
  • Popen option in moldrug.utils.run.
Changed
  • RuntimeError by warnings.warn when vina run fails and save every error as idx_error.pbz2. Where idx is the index of the failed individual.
  • Print format when mutate fails inside of moldrug.utils.GA
Added
  • Print MolDrug's version when the command line is used.

Files

ale94mleon/MolDrug-1.0.2.zip

Files (469.3 kB)

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md5:d3fd35cef44f2c59d5c3676431c16886
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Additional details

Related works

Is supplement to
https://github.com/ale94mleon/MolDrug/tree/1.0.2 (URL)