_            _    _        _         _
      /\ \         /\ \ /\ \     /\_\      / /\
      \_\ \       /  \ \\ \ \   / / /     / /  \
      /\__ \     / /\ \ \\ \ \_/ / /     / / /\ \__
     / /_ \ \   / / /\ \ \\ \___/ /     / / /\ \___\
    / / /\ \ \ / / /  \ \_\\ \ \_/      \ \ \ \/___/
   / / /  \/_// / /   / / / \ \ \        \ \ \
  / / /      / / /   / / /   \ \ \   _    \ \ \
 / / /      / / /___/ / /     \ \ \ /_/\__/ / /
/_/ /      / / /____\/ /       \ \_\\ \/___/ /
\_\/       \/_________/         \/_/ \_____\/
rdkit 2024.09.6
Dependencies: avalon-toolkit@2.0.5a cairo@1.18.4 coordgenlibs@3.0.2 font-comic-neue@2.51 freetype@2.13.3 inchi@1.07.3 maeparser@1.3.1 pubchem-align3d@0-0.daefab3 python@3.11.14 ringdecomposerlib@1.1.3 sqlite@3.39.3 yaehmop@2024.03.1
Propagated dependencies: python-numpy@1.26.4 python-cairocffi@1.6.1 python-pillow@11.1.0
Channel: guix
Location: gnu/packages/chemistry.scm (gnu packages chemistry)
Home page: https://rdkit.org/
Licenses: Modified BSD
Build system: cmake
Synopsis: Collection of cheminformatics software
Description:

RDKit is a C++ and Python library for cheminformatics, which includes (among other things) the analysis and modification of molecules in 2D and 3D and descriptor generation for machine learning.

Total results: 1