matmalib
About
This is a Python package designed by the Marianski Lab to easily create and design figures for publication, do data analysis from reading the output files of several commonly used QChem software such as Gaussian 16, ORCA, CP2k FHI-AIMS, and GROMMACS, create input files for these pieces of ssoftware and help automate several different computational chemistry workflows.
Documentation for the colors can be found here
Dependencies
You need the following python packages to use this package:
Python >= 3.12
Numpy
Matplotlib
Colormap
Networkx
py3Dmol
In your conda environment, run:
conda install numpy matplotlib colormap networkx py3Dmol
Install Instructions
To install the package you can run
pip install matmalib
To update the package:
pip install matmalib --upgrade
Release files for matmalib 0.2.6
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | |
|---|---|---|---|---|
| matmalib-0.2.6.tar.gz | 21.2 kB | With provenance | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| matmalib-0.2.6-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 43.1 kB
Release files / matmalib-0.2.6.tar.gz
| Download URL | matmalib-0.2.6.tar.gz |
|---|---|
| Size | 21.2 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/6.1.0 CPython/3.13.7
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Transparency logRelease files / matmalib-0.2.6-py3-none-any.whl
| Download URL | matmalib-0.2.6-py3-none-any.whl |
|---|---|
| Size | 21.9 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
079f0bb1e0780a768ec1a4848835cf4159c1c2f92694ab4e63c09e79fc0958f3
|
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BLAKE2b-256 checksum How to use checksums |
30eb1171fe720ab7d6c24048997282c498c700750f7d77b45710887c6677fd97
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/6.1.0 CPython/3.13.7
|
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
PyPI Publish Attestation
PyPI verified that this artifact, at this checksum, originated from the publisher listed below.
Signed by GitHub Actions, verified by PyPI on Dec 16, 2025.
Transparency logSecurity for matmalib 0.2.6
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
Full provenance
All 2 files in this release have been uploaded with provenance metadata.
Attestation for matmalib-0.2.6.tar.gz
PyPI Publish Attestation
PyPI verified that this artifact, at this checksum, originated from the publisher listed below.
Signed by GitHub Actions, verified by PyPI on Dec 16, 2025.
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