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https://github.com/cheminfo/openbabel-docker

https://github.com/cheminfo/openbabel-docker

Science Score: 13.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ○
    CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ○
    .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
  • ○
    Academic email domains
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (5.7%) to scientific vocabulary
Last synced: 9 months ago · JSON representation

Repository

Basic Info
  • Host: GitHub
  • Owner: cheminfo
  • License: mit
  • Language: JavaScript
  • Default Branch: main
  • Size: 34.2 KB
Statistics
  • Stars: 0
  • Watchers: 4
  • Forks: 0
  • Open Issues: 1
  • Releases: 3
Created almost 4 years ago · Last pushed over 2 years ago
Metadata Files
Readme Changelog License

README.md

openbabel-docker

Webservice allowing to convert between molecule formats using openbabel

Installation

This project uses docker. After cloning the project you should do:

cp docker-compose.example.yml docker-compose.yml

You can either use a released docker image or build the head. Please change docker-compose.yml accordingly.

docker-compose up --build -d

This will start a webserver on port 20808

For the browser you can test for example:

http://localhost:20808/

Local developmwent

For local development you may have to edit the docker/.env in order to set the location of BABEL.

cd docker docker build . -t openbabel docker run -it openbabel bash

License

MIT

openbabel is subject to its own license.

```

```

Owner

  • Name: Cheminfo
  • Login: cheminfo
  • Kind: organization

GitHub Events

Total
Last Year

Issues and Pull Requests

Last synced: about 1 year ago

All Time
  • Total issues: 0
  • Total pull requests: 4
  • Average time to close issues: N/A
  • Average time to close pull requests: 13 minutes
  • Total issue authors: 0
  • Total pull request authors: 1
  • Average comments per issue: 0
  • Average comments per pull request: 0.75
  • Merged pull requests: 3
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 0
  • Pull requests: 0
  • Average time to close issues: N/A
  • Average time to close pull requests: N/A
  • Issue authors: 0
  • Pull request authors: 0
  • Average comments per issue: 0
  • Average comments per pull request: 0
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
Pull Request Authors
  • cheminfo-bot (5)
Top Labels
Issue Labels
Pull Request Labels
autorelease: tagged (3) autorelease: pending (2)

Dependencies

docker/package.json npm
  • @types/jest ^28.1.6 development
  • c8 ^7.12.0 development
  • eslint ^8.21.0 development
  • eslint-config-cheminfo ^8.0.2 development
  • nodemon ^2.0.19 development
  • prettier ^2.7.1 development
  • vitest ^0.21.0 development
  • @fastify/cors ^8.1.0
  • @fastify/multipart ^7.1.0
  • @fastify/sensible ^5.1.0
  • @fastify/static ^6.5.0
  • @fastify/swagger ^7.4.1
  • dotenv ^16.0.1
  • fastify ^4.4.0
.github/workflows/dockerimage.yml actions
  • actions/checkout v3 composite
.github/workflows/release.yml actions
  • google-github-actions/release-please-action v3 composite
docker/Dockerfile docker
  • node 18 build
docker-compose.yml docker
  • ghcr.io/cheminfo/openbabel-docker head
package-lock.json npm
package.json npm