Installation and requirements

The package can be installed with

install.packages(c("BiocManager", "remotes"))
BiocManager::install("EuracBiomedicalResearch/CompoundDb")

In case there are missing package dependencies, run the code below first:

#' Install also Jan Stanstrup's commonMZ package
devtools::install_github("stanstrup/commonMZ")

Creating and using (chemical) compound databases

This package provides functionality to create and use compound databases generated from (mostly publicly) available resources such as HMDB, ChEBI and PubChem.

How to contribute

Contributions are welcome, but should follow certain guidelines:

1. Open an issue.
2. Create a new branch (internal collaborator) or fork the repository (external contributor).
3. Add your code (following loosly Bioconductor's coding style.
4. Ensure the package passes R CMD build and R CMD check.
5. Make a pull request.