Add your description here
Project description
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 history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file matmalib-0.1.3.tar.gz.
File metadata
- Download URL: matmalib-0.1.3.tar.gz
- Upload date:
- Size: 19.7 kB
- Tags: Source
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/6.1.0 CPython/3.13.7
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
37e876033998409802b648f6ebba2f03bb754318039c5ad74337113bfe3dba62
|
|
| MD5 |
d0285be9049d0b168402ba0263973934
|
|
| BLAKE2b-256 |
2f06c73c9db19c66e57f1938b7af43f620a5b2fd107078c6daa2f34db0a39115
|
Provenance
The following attestation bundles were made for matmalib-0.1.3.tar.gz:
Publisher:
python-publish.yml on marianski-lab/matmalib
-
Statement:
-
Statement type:
https://in-toto.io/Statement/v1 -
Predicate type:
https://docs.pypi.org/attestations/publish/v1 -
Subject name:
matmalib-0.1.3.tar.gz -
Subject digest:
37e876033998409802b648f6ebba2f03bb754318039c5ad74337113bfe3dba62 - Sigstore transparency entry: 580440212
- Sigstore integration time:
-
Permalink:
marianski-lab/matmalib@225d2cbfb72d4f2d5ff6f984367f089e2fbd0d1e -
Branch / Tag:
refs/tags/0.1.3 - Owner: https://github.com/marianski-lab
-
Access:
private
-
Token Issuer:
https://token.actions.githubusercontent.com -
Runner Environment:
github-hosted -
Publication workflow:
python-publish.yml@225d2cbfb72d4f2d5ff6f984367f089e2fbd0d1e -
Trigger Event:
release
-
Statement type:
File details
Details for the file matmalib-0.1.3-py3-none-any.whl.
File metadata
- Download URL: matmalib-0.1.3-py3-none-any.whl
- Upload date:
- Size: 20.6 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? Yes
- Uploaded via: twine/6.1.0 CPython/3.13.7
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
02bfccc7312d3f278a8a8db9a6b92c14297b0fcc5554a42b60ea710f1e4a4b0c
|
|
| MD5 |
1363a2a0940bd6daacf882e9cc2be279
|
|
| BLAKE2b-256 |
a4f6887ab3c7769075f405258cb7338b01184b5f2252f0363d6511bc00456d59
|
Provenance
The following attestation bundles were made for matmalib-0.1.3-py3-none-any.whl:
Publisher:
python-publish.yml on marianski-lab/matmalib
-
Statement:
-
Statement type:
https://in-toto.io/Statement/v1 -
Predicate type:
https://docs.pypi.org/attestations/publish/v1 -
Subject name:
matmalib-0.1.3-py3-none-any.whl -
Subject digest:
02bfccc7312d3f278a8a8db9a6b92c14297b0fcc5554a42b60ea710f1e4a4b0c - Sigstore transparency entry: 580440269
- Sigstore integration time:
-
Permalink:
marianski-lab/matmalib@225d2cbfb72d4f2d5ff6f984367f089e2fbd0d1e -
Branch / Tag:
refs/tags/0.1.3 - Owner: https://github.com/marianski-lab
-
Access:
private
-
Token Issuer:
https://token.actions.githubusercontent.com -
Runner Environment:
github-hosted -
Publication workflow:
python-publish.yml@225d2cbfb72d4f2d5ff6f984367f089e2fbd0d1e -
Trigger Event:
release
-
Statement type:
