qc-procrustes
qc-procrustes
pypi i qc-procrustes
qc-procrustes

qc-procrustes

Python library for finding the optimal transformation(s) that makes two matrices as close as possible to each other.

by theochem

1.0.0 (see all)License:GNU (Version 3)
pypi i qc-procrustes
Readme

Procrustes

GPLv3 License GitHub Actions CI Tox Status Documentation Status Binder

The Procrustes library provides a set of functions for transforming a matrix to make it as similar as possible to a target matrix. For more information, visit Procrustes Documentation.

Citation

Please use the following citation in any publication using Procrustes library:

"Procrustes: A Python Library to Find Transformationsthat Maximize the Similarity Between Matrices.", F. Meng, M. Richer, A. Tehrani, J. La, T. D. Kim, P. W. Ayers, F. Heidar-Zadeh, JOURNAL XXX.

Dependencies

The following dependencies are required to run Procrustes properly,

Installation

To install Procrustes using the conda package management system, install miniconda or anaconda first, and then:

    # Create and activate myenv conda environment (optional, but recommended)
    conda create -n myenv python=3.6
    conda activate myenv

    # Install the stable release.
    conda install -c theochem/label/dev qc-procrustes

To install Procrustes with pip, you may want to create a virtual environment, and then:

    # Install the stable release.
    pip install qc-procrustes

See https://procrustes.readthedocs.io/en/latest/usr_doc_installization.html for full details.

VersionTagPublished
1.0.0
1yr ago
1.0.0a5
1yr ago
1.0.0a4
1yr ago
1.0.0a3
1yr ago
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