Python library for argument and configuration management. The goal of this library is to enable easy configuration of large code bases with many parameters. It should be particulary useful in machine ...

The molfile_to_params.py generates a .params file from a ligand given as a mol/sdf/mdl file or a mol2 file. The .params file is the topology file for Rosetta and has to be specified with the flag ...

Python uses TOML, or Tom’s Obvious Minimal Language, as a configuration format (as in pyproject.toml), but doesn’t expose the ability to read TOML-format files as a standard library module.