Procrustes

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:

@article{Meng2022procrustes,
    title = {Procrustes: A python library to find transformations that maximize the similarity between matrices},
    author = {Fanwang Meng and Michael Richer and Alireza Tehrani and Jonathan La and Taewon David Kim and Paul W. Ayers and Farnaz Heidar-Zadeh},
    journal = {Computer Physics Communications},
    volume = {276},
    number = {108334},
    pages = {1--37},
    year = {2022},
    issn = {0010-4655},
    doi = {https://doi.org/10.1016/j.cpc.2022.108334},
    url = {https://www.sciencedirect.com/science/article/pii/S0010465522000522},
    keywords = {Procrustes analysis, Orthogonal, Symmetric, Rotational, Permutation, Softassign},
}

Dependencies

The following dependencies are required to run Procrustes properly,

Python >= 3.9: http://www.python.org/
NumPy >= 1.21.5: http://www.numpy.org/
SciPy >= 1.9.0: http://www.scipy.org/
PyTest >= 5.3.4: https://docs.pytest.org/
PyTest-Cov >= 2.8.0: https://pypi.org/project/pytest-cov/

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=3.11
conda activate myenv

# Install the stable release.
conda install -c theochem 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.qcdevs.org/usr_doc_installization.html for full details.

Metadata

Release files for qc-procrustes 1.0.1a1

For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.

Source distribution (sdist)

Source distribution for qc-procrustes 1.0.1a1
File	Size	Uploaded
qc_procrustes-1.0.1a1.tar.gz	1.6 MB	Sep 16, 2024	Details

Built distribution (wheel)

Table of built distributions (wheels) for qc-procrustes 1.0.1a1
File	Interpreter	ABI	Platform	Reset
qc_procrustes-1.0.1a1-py3-none-any.whl 1.6 MB Sep 16, 2024	Python 3	none	any	Details

Total release size: 3.2 MB

Release files / qc_procrustes-1.0.1a1.tar.gz

Download URL	qc_procrustes-1.0.1a1.tar.gz
Size	1.6 MB
Tags	Source
SHA-256 checksum How to use checksums	`be9cfcfabad70d57b8c15a2b975b7a00c86c2bf21bd70919cdec1c3cb016fac8`
BLAKE2b-256 checksum How to use checksums	`303636f5105494b5ce814833107380d3bf6b49e8399db0d18116a9d76d17a820`
Upload date	Sep 16, 2024
Uploaded using Trusted Publishing? What is trusted publishing?	Yes
Uploaded via	`twine/5.1.1 CPython/3.12.6`

Release files / qc_procrustes-1.0.1a1-py3-none-any.whl

Download URL	qc_procrustes-1.0.1a1-py3-none-any.whl
Size	1.6 MB
Tags	Python 3
SHA-256 checksum How to use checksums	`a0626c989e3b5fbb3489c80f6ffe7c80ef621e95a2c9f9e16923d851260ceb4e`
BLAKE2b-256 checksum How to use checksums	`19a79ae6ea419e130fe5bf408e6811c79ffeb690c8eee4509d4a58ce85ff44f0`
Upload date	Sep 16, 2024
Uploaded using Trusted Publishing? What is trusted publishing?	Yes
Uploaded via	`twine/5.1.1 CPython/3.12.6`