DFSG NEW Queue

DFSG, Licensing & New Packages Team

python-openclatura 0.3.1+ds-1

Package Information

Descriptiondeterministic converter from SMILES to IUPAC chemical name

openclatura names molecules the way the IUPAC Blue Book (2013) says to. It walks the RDKit molecular graph, perceives functional groups and ring systems, picks the principal parent, numbers it, and assembles the substitutive name.

There is no model and no lookup table: the same structure always yields the same name, and every choice along the way is recorded in a decision trace, so the why of a name is recoverable and not just the what.

MaintainerDebichem Team <debichem-devel@lists.alioth.debian.org>
Changed ByAndrius Merkys <merkys@debian.org>
Distributionunstable
Architectureall
VCSgit: https://salsa.debian.org/debichem-team/python-openclatura.git (browse)
Closes#1146380
Trackerhttps://tracker.debian.org/pkg/python-openclatura
Uploaded3 hours ago

New Package Report

.changes
Sourcepython-openclatura
Version0.3.1+ds-1
Changed-ByAndrius Merkys
Architecturesource all
Distributionunstable
DateMon, 31 Aug 2026 06:45:07 -0400
Changelog
python-openclatura (0.3.1+ds-1) unstable; urgency=medium
 .
   * Initial release. (Closes: #1146380)
.dsc
Sectionscience
Priorityoptional
Componentmain
Package-Listpython3-openclatura deb science optional arch=all
debian/copyright
Format: https://www.debian.org/doc/packaging-manuals/copyright-format/1.0/
Source: https://github.com/lamalab-org/openclatura
Upstream-Name: openclatura
Upstream-Contact: https://github.com/lamalab-org/openclatura/issues
Files-Excluded:
 evaluations
 website

Files: *
Copyright: 2026, lamalab-org
License: Expat

Files: debian/*
Copyright: 2026, Andrius Merkys <merkys@debian.org>
License: Expat

License: Expat
 Permission is hereby granted, free of charge, to any person obtaining a copy
 of this software and associated documentation files (the "Software"), to deal
 in the Software without restriction, including without limitation the rights
 to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
 copies of the Software, and to permit persons to whom the Software is
 furnished to do so, subject to the following conditions:
 .
 The above copyright notice and this permission notice shall be included in all
 copies or substantial portions of the Software.
 .
 THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
 IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
 FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
 AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
 LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
 OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
 SOFTWARE.

Back to Dashboard | View all reviews for this package