Tutorial#
Getting started#
peppr is a Python package for evaluation of molecular structure poses,
created by any structure prediction tool, against corresponding reference structures,
that represent the perfect ground truth for that structure.
Installation#
peppr can be installed from PyPI.
$ pip install peppr
If the installation suceeded you should be able to import peppr in Python
import peppr
and to use the command line interface
$ peppr --help
Usage#
As implied above, peppr can either be used as a command line program or, especially
if higher flexibility is required, as a Python package.
The following tutorials will illuminate both ways and also show how to extend
peppr with custom metrics.
Command line
Python API
Customization