ChemInformant: A Robust and Workflow-Centric Python Client for High-Throughput PubChem Access
ChemInformant: A Robust and Workflow-Centric Python Client for High-Throughput PubChem Access - Published in JOSS (2025)
https://github.com/hzacode/cheminformant
Keywords
api-client batch-processing caching cas cheminformatics chemistry cli compound-search data-validation dataframe drug-discovery iupac molecular-descriptors molecular-weight pandas pubchem python rest-api smiles sql
Last synced: 2 months ago
JSON representation
Acceptance Criteria
- Revelant topics? false
- External users? true
- Open source license? true
- Active? true
- Fork? false
Repository metadata
⚗️ An all-in-one solution for chemical property retrieval from PubChem.
- Host: GitHub
- URL: https://github.com/hzacode/cheminformant
- Owner: HzaCode
- License: mit
- Created: 2024-01-21T12:03:01.000Z (almost 2 years ago)
- Default Branch: main
- Last Pushed: 2025-10-15T03:33:37.000Z (3 months ago)
- Last Synced: 2025-10-17T00:01:00.060Z (2 months ago)
- Topics: api-client, batch-processing, caching, cas, cheminformatics, chemistry, cli, compound-search, data-validation, dataframe, drug-discovery, iupac, molecular-descriptors, molecular-weight, pandas, pubchem, python, rest-api, smiles, sql
- Language: Python
- Homepage: https://hezhiang.com/cheminformant_real.html
- Size: 12.1 MB
- Stars: 4
- Watchers: 2
- Forks: 1
- Open Issues: 0
- Releases: 0
-
Metadata Files:
- Readme: README.md
- Contributing: CONTRIBUTING.md
- License: LICENSE
- Code of conduct: CODE_OF_CONDUCT.md
- Citation: CITATION.cff
- Zenodo: .zenodo.json
Owner metadata
- Name: Ang
- Login: HzaCode
- Email:
- Kind: user
- Description:
- Website:
- Location:
- Twitter:
- Company:
- Icon url: https://avatars.githubusercontent.com/u/92981090?u=5e5b690460c6eab6bcfde5bd4eae3ef6a768991d&v=4
- Repositories: 1
- Last ynced at: 2023-12-27T16:33:11.582Z
- Profile URL: https://github.com/HzaCode
GitHub Events
Total
- Create event: 33
- Release event: 2
- Issues event: 14
- Watch event: 5
- Delete event: 19
- Issue comment event: 18
- Push event: 309
- Pull request event: 37
Last Year
- Create event: 33
- Release event: 2
- Issues event: 14
- Watch event: 5
- Delete event: 19
- Issue comment event: 18
- Push event: 309
- Pull request event: 37
Committers metadata
Last synced: 3 months ago
Total Commits: 375
Total Committers: 3
Avg Commits per committer: 125.0
Development Distribution Score (DDS): 0.037
Commits in past year: 362
Committers in past year: 2
Avg Commits per committer in past year: 181.0
Development Distribution Score (DDS) in past year: 0.003
| Name | Commits | |
|---|---|---|
| Ang | h****g@g****m | 361 |
| Ang | 9****e@u****m | 13 |
| robertpepelnjak | 1****k@u****m | 1 |
Issue and Pull Request metadata
Last synced: 3 months ago
Total issues: 13
Total pull requests: 45
Average time to close issues: 21 days
Average time to close pull requests: about 2 hours
Total issue authors: 1
Total pull request authors: 2
Average comments per issue: 1.15
Average comments per pull request: 0.31
Merged pull request: 35
Bot issues: 0
Bot pull requests: 0
Past year issues: 13
Past year pull requests: 45
Past year average time to close issues: 21 days
Past year average time to close pull requests: about 2 hours
Past year issue authors: 1
Past year pull request authors: 2
Past year average comments per issue: 1.15
Past year average comments per pull request: 0.31
Past year merged pull request: 35
Past year bot issues: 0
Past year bot pull requests: 0
Top Issue Authors
- cthoyt (13)
Top Pull Request Authors
- HzaCode (43)
- robertpepelnjak (2)
Top Issue Labels
Top Pull Request Labels
Package metadata
- Total packages: 1
-
Total downloads:
- pypi: 446 last-month
- Total dependent packages: 0
- Total dependent repositories: 0
- Total versions: 20
- Total maintainers: 1
pypi.org: cheminformant
A robust and high-throughput Python client for the PubChem API, designed for automated data retrieval and analysis
- Homepage: https://github.com/HzaCode/ChemInformant
- Documentation: https://github.com/HzaCode/ChemInformant#readme
- Licenses: mit
- Latest release: 2.4.3 (published 3 months ago)
- Last Synced: 2025-10-18T01:34:31.059Z (2 months ago)
- Versions: 20
- Dependent Packages: 0
- Dependent Repositories: 0
- Downloads: 446 Last month
-
Rankings:
- Dependent packages count: 9.414%
- Average: 31.218%
- Dependent repos count: 53.022%
- Maintainers (1)
Dependencies
- pandas *
- requests *
Score: 8.587465244401569