Cleaning, collating, and augmenting chemical datasets.
Install the pre-compiled version from PyPI:
pip install schemistClone the repository, then cd into it. Then run:
pip install -e .schemist provides command-line utlities to ... The tools complete specific tasks which
can be easily composed into analysis pipelines, because the TSV table output goes to
stdout by default so they can be piped from one tool to another.
To get a list of commands (tools), do
schemist --helpAnd to get help for a specific command, do
schemist <command> --helpFor the Python API, see below.
schemist can be imported into Python to help make custom analyses.
>>> import schemist as schFull API documentation is at ReadTheDocs.