https://github.com/blueobelisk/pybacting
A Python wrapper around Bacting (https://github.com/egonw/bacting)
Science Score: 36.0%
This score indicates how likely this project is to be science-related based on various indicators:
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○CITATION.cff file
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✓codemeta.json file
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
○DOI references
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✓Academic publication links
Links to: zenodo.org -
○Committers with academic emails
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○Institutional organization owner
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (10.5%) to scientific vocabulary
Keywords from Contributors
Repository
A Python wrapper around Bacting (https://github.com/egonw/bacting)
Basic Info
Statistics
- Stars: 11
- Watchers: 3
- Forks: 2
- Open Issues: 2
- Releases: 20
Metadata Files
README.md
pybacting
Python wrapper around Bacting.
Usage
Based on the example from the Bacting page, you can do:
```python from pybacting import cdk
print(cdk.fromSMILES("COC")) ```
Or you can use some of the more pythonic functions that wrap the functions
exposed through the pybacting.cdk object:
```python import pybacting
print(pybacting.from_smiles("COC")) ```
Installation
Before installing, you'll need to make sure Maven (mvn) and Java 17 are available on your
path. If you're on mac, use brew install maven.
shell
$ pip install pybacting
Install the latest code from GitHub:
shell
$ pip install git+https://github.com/BlueObelisk/pybacting
Download and install from source in development mode:
shell
$ git clone https://github.com/BlueObelisk/pybacting
$ cd pybacting
$ pip install --editable .
Owner
- Name: Blue Obelisk
- Login: BlueObelisk
- Kind: organization
- Website: http://www.blueobelisk.org/
- Repositories: 59
- Profile: https://github.com/BlueObelisk
GitHub Events
Total
- Release event: 1
- Issues event: 2
- Delete event: 2
- Issue comment event: 1
- Push event: 4
- Pull request event: 2
Last Year
- Release event: 1
- Issues event: 2
- Delete event: 2
- Issue comment event: 1
- Push event: 4
- Pull request event: 2
Committers
Last synced: about 1 year ago
Top Committers
| Name | Commits | |
|---|---|---|
| Charles Tapley Hoyt | c****t@g****m | 82 |
| Egon Willighagen | e****n@g****m | 13 |
Issues and Pull Requests
Last synced: 10 months ago
All Time
- Total issues: 2
- Total pull requests: 2
- Average time to close issues: 24 days
- Average time to close pull requests: 14 minutes
- Total issue authors: 1
- Total pull request authors: 1
- Average comments per issue: 2.5
- Average comments per pull request: 0.0
- Merged pull requests: 2
- Bot issues: 0
- Bot pull requests: 0
Past Year
- Issues: 2
- Pull requests: 2
- Average time to close issues: 24 days
- Average time to close pull requests: 14 minutes
- Issue authors: 1
- Pull request authors: 1
- Average comments per issue: 2.5
- Average comments per pull request: 0.0
- Merged pull requests: 2
- Bot issues: 0
- Bot pull requests: 0
Top Authors
Issue Authors
- cthoyt (2)
Pull Request Authors
- egonw (2)
Top Labels
Issue Labels
Pull Request Labels
Packages
- Total packages: 1
-
Total downloads:
- pypi 194 last-month
- Total dependent packages: 0
- Total dependent repositories: 1
- Total versions: 21
- Total maintainers: 2
pypi.org: pybacting
A python wrapper around Bacting
- Homepage: https://github.com/BlueObelisk/pybacting
- Documentation: https://pybacting.readthedocs.io/
- License: MIT
-
Latest release: 0.2.15
published 11 months ago
Rankings
Dependencies
- actions/checkout v3 composite
- actions/setup-python v2 composite