https://github.com/cheminfo/pubchem

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
✓
codemeta.json file
Found codemeta.json file
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.zenodo.json file
Found .zenodo.json file
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DOI references
✓
Academic publication links
Links to: ncbi.nlm.nih.gov
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Academic email domains
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Institutional organization owner
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JOSS paper metadata
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Scientific vocabulary similarity
Low similarity (7.9%) to scientific vocabulary

Last synced: 10 months ago · JSON representation

Repository

Basic Info

Host: GitHub
Owner: cheminfo
License: mit
Language: TypeScript
Default Branch: main
Homepage:
Size: 2.46 MB

Statistics

Stars: 9
Watchers: 4
Forks: 4
Open Issues: 2
Releases: 25

Created over 5 years ago · Last pushed about 1 year ago

Metadata Files

Readme Changelog License

README.md

PubChem

Simplify the retrieval of information from PubChem using the PubChem JSON API.

Installation

$ npm i pubchem

Usage

```js import { Compound } from 'pubchem';

async function doAll() { const compound = await Compound.fromSmiles('CCCCCBr', { cache });

console.log(compound.getCID());

const compoundData = await compound.getData();

const ghs = compoundData.ghs; console.log(ghs);

const detailedGHS = compoundData.getGHS(); console.log(detailedGHS);

const computed = compoundData.computed;

console.log(computed);

const experimentalData = compoundData.getExperimentalData({ pressure: { targetUnits: 'torr' }, temperature: { targetUnits: '°C' }, });

console.log(experimentalData); }

doAll(); ```

You can run a working example using:

node test/simple.js

CDN

Online demo

API Documentation

License

MIT

Owner

Name: Cheminfo
Login: cheminfo
Kind: organization

Website: https://www.cheminfo.org/
Repositories: 242
Profile: https://github.com/cheminfo

GitHub Events

Total

Release event: 1
Watch event: 1
Delete event: 1
Issue comment event: 2
Push event: 3
Pull request event: 1
Create event: 2

Last Year

Release event: 1
Watch event: 1
Delete event: 1
Issue comment event: 2
Push event: 3
Pull request event: 1
Create event: 2

Issues and Pull Requests

Last synced: 11 months ago

All Time

Total issues: 18
Total pull requests: 42
Average time to close issues: 27 days
Average time to close pull requests: 4 days
Total issue authors: 4
Total pull request authors: 6
Average comments per issue: 1.22
Average comments per pull request: 1.36
Merged pull requests: 42
Bot issues: 0
Bot pull requests: 0

Past Year

Issues: 0
Pull requests: 1
Average time to close issues: N/A
Average time to close pull requests: 11 minutes
Issue authors: 0
Pull request authors: 1
Average comments per issue: 0
Average comments per pull request: 2.0
Merged pull requests: 1
Bot issues: 0
Bot pull requests: 0

View more stats

Top Authors

Issue Authors

kjappelbaum (10)
lpatiny (6)
mikemaster98 (1)
Klairm (1)

Pull Request Authors

cheminfo-bot (29)
kjappelbaum (12)
RicardoSilvestr (2)
wadjih-bencheikh18 (1)
targos (1)
lpatiny (1)

Top Labels

Issue Labels

Pull Request Labels

autorelease: tagged (26) autorelease: pending (3)

Packages

Total packages: 1
Total downloads:
- npm 1,315 last-month

Total dependent packages: 1
Total dependent repositories: 1
Total versions: 25
Total maintainers: 1

npmjs.org: pubchem

pubchem simplifies the data retrieval from the PubChem API.

Homepage: https://github.com/cheminfo/pubchem#readme
License: MIT
Latest release: 1.3.1
published about 1 year ago

Versions: 25
Dependent Packages: 1
Dependent Repositories: 1
Downloads: 1,315 Last month

Rankings

Downloads: 6.6%

Forks count: 8.9%

Dependent repos count: 10.4%

Stargazers count: 10.9%

Average: 11.6%

Dependent packages count: 21.1%

Maintainers (1)

cheminfo-bot