A repository of common Informatics Matters pipelines utilities shared between a number of Pipelines repositories that rely on the RDKit open source cheminformatics software.
You will need: -
- Conda
- Python (ideally v3)
The pipelines are based on the RDKit Open-Source Cheminformatics Software
and are best executed from within a suitably configured Conda environment.
You may need to install some additional modules before you can run the tests,
these dependencies are captured in our own example-requirements.txt file and
installed as normal:
$ pip install -r example-requiremenmts.txt
The module utilities should support both Python 2 and 3 but we recommend any modules/pipelines you write support both flavours.
This project's structure is similar to pipelines-utils. For details
on how to publish to pip refer to its documentation.