https://github.com/domdfcoding/chemistry_tools

Python tools for analysis of chemical compounds.
https://github.com/domdfcoding/chemistry_tools

Keywords

chemistry python python3 utility

Keywords from Contributors

pypi mass-spectrometry distributed conda energy-system-model visualisation packaging requirements pep621 chromatography

Last synced: 11 months ago
JSON representation

Acceptance Criteria

Revelant topics? true
External users? true
Open source license? true
Active? true
Fork? false

Repository metadata

Python tools for analysis of chemical compounds.

Host: GitHub
URL: https://github.com/domdfcoding/chemistry_tools
Owner: domdfcoding
License: lgpl-3.0
Created: 2019-06-12T20:03:45.000Z (almost 6 years ago)
Default Branch: master
Last Pushed: 2024-04-26T08:27:58.000Z (about 1 year ago)
Last Synced: 2024-05-02T05:16:42.216Z (about 1 year ago)
Topics: chemistry, python, python3, utility
Language: Python
Homepage: https://chemistry_tools.readthedocs.io/en/latest
Size: 1.07 MB
Stars: 0
Watchers: 3
Forks: 1
Open Issues: 1
Releases: 0
Metadata Files:
- Readme: README.rst
- Contributing: CONTRIBUTING.rst
- License: LICENSE

Owner metadata

Name: Dominic Davis-Foster
Login: domdfcoding
Email:
Kind: user
Description: Forensic Science researcher at Staffordshire University in the UK. Carrying out research into Organic Gunshot Residue
Website:
Location: Stoke-On-Trent, UK
Twitter:
Company:
Icon url: https://avatars.githubusercontent.com/u/8050853?u=b636e1761278becfb9ea7344e43f01929cf87cf8&v=4
Repositories: 169
Last ynced at: 2024-05-20T14:35:52.369Z
Profile URL: https://github.com/domdfcoding

GitHub Events

Total

Create event: 68
Issues event: 1
Release event: 21
Watch event: 1
Delete event: 44
Issue comment event: 72
Push event: 348
Pull request review event: 33
Pull request event: 99
Fork event: 1

Last Year

Create event: 12
Delete event: 10
Issue comment event: 12
Pull request event: 20
Pull request review event: 4
Push event: 23
Release event: 4

Name	Email	Commits
Dominic Davis-Foster	d**c@d**k	261
repo-helper[bot]	7****]	21
pre-commit-ci[bot]	6****]	11
Dominic Davis-Foster	d**g@g**m	2

Issue and Pull Request metadata

Last synced: 12 months ago

Total issues: 0
Total pull requests: 56
Average time to close issues: N/A
Average time to close pull requests: about 1 month
Total issue authors: 0
Total pull request authors: 6
Average comments per issue: 0
Average comments per pull request: 1.38
Merged pull request: 38
Bot issues: 0
Bot pull requests: 55

Past year issues: 0
Past year pull requests: 12
Past year average time to close issues: N/A
Past year average time to close pull requests: 7 days
Past year issue authors: 0
Past year pull request authors: 3
Past year average comments per issue: 0
Past year average comments per pull request: 1.0
Past year merged pull request: 11
Past year bot issues: 0
Past year bot pull requests: 11

More stats: https://issues.ecosyste.ms/repositories/lookup?url=https://github.com/domdfcoding/chemistry_tools

Top Issue Authors

Top Pull Request Authors

repo-helper[bot] (27)
pre-commit-ci[bot] (16)
dependabot[bot] (10)
domdfcoding (1)
dependabot-preview[bot] (1)
lgtm-com[bot] (1)

Top Issue Labels

Top Pull Request Labels

failure: Windows (16)
failure: mypy (15)
dependencies (11)
failure: Linux (7)
🤖 automerge (6)
failure: flake8 (5)
failure: docs (5)
wontfix (1)
failure: coverage (1)

Package metadata

Total packages: 1
Total downloads:
- pypi: 2,926 last-month
Total dependent packages: 2
Total dependent repositories: 4
Total versions: 24
Total maintainers: 1

pypi.org: chemistry-tools

Python tools for analysis of chemical compounds.

Homepage: https://github.com/domdfcoding/chemistry_tools
Documentation: https://chemistry-tools.readthedocs.io/en/latest
Licenses: LGPL-3.0-or-later
Latest release: 1.0.1 (published about 1 year ago)
Last Synced: 2024-06-05T14:16:32.524Z (11 months ago)
Versions: 24
Dependent Packages: 2
Dependent Repositories: 4
Downloads: 2,926 Last month
Rankings:
- Dependent packages count: 3.121%
- Downloads: 6.628%
- Dependent repos count: 7.538%
- Average: 15.745%
- Forks count: 22.629%
- Stargazers count: 38.809%
Maintainers (1)
- DomDF

Dependencies

chemistry_tools/formulae/requirements.txt pypi

cawdrey >=0.1.7
mathematical >=0.1.13
pyparsing >=2.4.6
tabulate >=0.8.9
typing-extensions >=4.1.1

chemistry_tools/pubchem/requirements.txt pypi

cawdrey >=0.1.7
mathematical >=0.1.13
pillow >=7.0.0
pillow <9.0.0,>=7.0.0
pillow <8.0.0,>=7.0.0
pyparsing >=2.4.6
tabulate >=0.8.9

doc-source/requirements.txt pypi

default-values >=0.5.0
domdf-sphinx-theme >=0.3.0
extras-require >=0.2.0
html-section >=0.1.0
mypy >=0.782
pyyaml >=5.3.1
repo-helper-sphinx-theme >=0.0.2
seed-intersphinx-mapping >=0.3.1
sphinx >=3.3.0
sphinx-copybutton >=0.2.12
sphinx-debuginfo >=0.1.0
sphinx-licenseinfo >=0.1.1
sphinx-notfound-page >=0.5
sphinx-prompt >=1.1.0
sphinx-pyproject >=0.1.0
sphinx-tabs >=1.1.13
sphinx-toolbox >=2.13.0
sphinxcontrib-httpdomain >=1.7.0
sphinxemoji >=0.1.6
tabulate >=0.8.9
toctree-plus >=0.5.0

requirements.txt pypi

apeye >=0.9.1
cachecontrol >=0.12.6
domdf-python-tools >=1.1.0
enum-tools >=0.1.3
lockfile >=0.12.2
memoized-property >=1.0.3
numpy >=1.19.1
numpy *
pandas >=1.0.1
quantities >=0.12.4
requests >=2.24.0

tests/requirements.txt pypi

backports-entry-points-selectable >=1.0.2 test
betamax >=0.8.1 test
coincidence >=0.2.0 test
coverage >=5.1 test
coverage-pyver-pragma >=0.2.1 test
domdf-python-tools >=2.0.1 test
importlib-metadata >=3.6.0 test
iniconfig * test
pytest >=6.0.0 test
pytest-cov >=2.8.1 test
pytest-randomly >=3.7.0 test
pytest-timeout >=1.4.2 test
sympy >=1.6.2 test

.github/workflows/conda_ci.yml actions

actions/checkout v3 composite
actions/setup-python v4 composite
conda-incubator/setup-miniconda v2 composite

.github/workflows/docs_test_action.yml actions

actions/checkout v3 composite
dorny/paths-filter v2 composite
sphinx-toolbox/sphinx-action sphinx-3.3.1 composite

.github/workflows/flake8.yml actions

actions/checkout v3 composite
actions/setup-python v4 composite
dorny/paths-filter v2 composite

.github/workflows/mypy.yml actions

actions/checkout v3 composite
actions/setup-python v4 composite
dorny/paths-filter v2 composite

.github/workflows/octocheese.yml actions

domdfcoding/octocheese master composite

.github/workflows/python_ci.yml actions

actions/checkout v3 composite
actions/setup-python v4 composite
actions/upload-artifact v3 composite
dorny/paths-filter v2 composite

.github/workflows/python_ci_linux.yml actions

actions/checkout v3 composite
actions/download-artifact v3 composite
actions/setup-python v4 composite
actions/upload-artifact v3 composite
conda-incubator/setup-miniconda v2 composite
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pypa/gh-action-pypi-publish v1.4.2 composite

.github/workflows/python_ci_macos.yml actions

actions/checkout v3 composite
actions/setup-python v4 composite
actions/upload-artifact v3 composite
dorny/paths-filter v2 composite

Score: 9.37007543009734

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