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bioconductor-chemmineob

Community

R interface to a subset of OpenBabel functionalities

Installation

To install this package, run one of the following:

Conda
$conda install bioconda::bioconductor-chemmineob

Usage Tracking

1.40.0
1.38.0
1.36.0
3 / 8 versions selected
Downloads (Last 6 months): 0

Description

ChemmineOB provides an R interface to a subset of cheminformatics functionalities implemented by the OpelBabel C++ project. OpenBabel is an open source cheminformatics toolbox that includes utilities for structure format interconversions, descriptor calculations, compound similarity searching and more. ChemineOB aims to make a subset of these utilities available from within R. For non-developers, ChemineOB is primarily intended to be used from ChemmineR as an add-on package rather than used directly.

About

Summary

R interface to a subset of OpenBabel functionalities

Last Updated

Dec 18, 2023 at 22:44

License

file LICENSE

Total Downloads

5.1K

Supported Platforms

linux-64
macOS-64