Metadata-Version: 2.4
Name: moldeck
Version: 0.0.1
Summary: Name registration for moldeck, a privately distributed molecular modelling workflow package (no modules included)
Author-email: Koji Okuwaki <koujioku81@gmail.com>
Project-URL: Public counterpart (abmptools), https://pypi.org/project/abmptools/
Classifier: Development Status :: 1 - Planning
Classifier: Intended Audience :: Science/Research
Classifier: License :: Other/Proprietary License
Classifier: Programming Language :: Python :: 3
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: >=3.8
Description-Content-Type: text/markdown

# moldeck

`moldeck` is a private molecular modelling workflow package by Koji Okuwaki:
generators and analysers for coarse-grained / DPD input, molecular fragmentation,
crystal and amorphous model building, and enhanced-sampling and binding-free-energy
workflows.

**This name is registered by the author. It is not a public distribution.**

This release intentionally contains **no importable modules** — installing it
gives you nothing but this description, and it will not shadow a real `moldeck`
installation.

## Getting moldeck

`moldeck` is distributed privately, as an archive, to individually approved
recipients. It is proprietary: reuse, redistribution and modification require
the author's prior written permission. Please contact the author if you have a
reason to use it.

## Public counterpart

The author's public package is
[**abmptools**](https://pypi.org/project/abmptools/) (Apache-2.0) —
pre/post-processing and analysis for ABINIT-MP Fragment Molecular Orbital
calculations, plus all-atom MD utilities. `moldeck` depends on `abmptools`;
the dependency runs one way only.

If you are looking for something to install, you want `abmptools`.
