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Open Source Science

smilesdb

A SMILES-first molecular database API

https://github.com/rockwillck/smilesdb

Science Score: 67.0%

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

  • ✓
    CITATION.cff file
    Found CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ✓
    DOI references
    Found 5 DOI reference(s) in README
  • ✓
    Academic publication links
    Links to: zenodo.org
  • ○
    Academic email domains
  • ○
    Institutional organization owner
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (6.5%) to scientific vocabulary
Last synced: 6 months ago · JSON representation ·

Repository

A SMILES-first molecular database API

Basic Info
  • Host: GitHub
  • Owner: rockwillck
  • License: other
  • Language: TeX
  • Default Branch: main
  • Homepage: https://www.smilesdb.org
  • Size: 1.32 MB
Statistics
  • Stars: 2
  • Watchers: 1
  • Forks: 2
  • Open Issues: 0
  • Releases: 0
Created over 1 year ago · Last pushed 8 months ago
Metadata Files
Readme License Citation

README.md

SmilesDB

A SMILES-first molecular database API

DOI

screenshot

To check availability and uptime, see the status page.

Statement of Need

Documentation

Endpoints

Data Spec

Dependencies

Self-Hosting / Installation

Examples

WolframLanguage (Mathematica)

JavaScript

Contributing

Cite SmilesDB

Choi-Kim, W. (2025). SmilesDB Dataset [Dataset]. Zenodo. https://doi.org/10.5281/ZENODO.15756603

Citations

License

The code of SmilesDB (including the web-app in api.py, the processing code under processing/, and the interface in static/ and templates/) are licensed under the MIT license.

The data of the SmilesDB database (stored in data/) is licensed under a Creative Commons Attribution-Share Alike 3.0 Unported License (https://creativecommons.org/licenses/by-sa/3.0/). This allows use, redistribution, and adaption of SmilesDB as long as appropriate attribution is given and any adaptations are redistributed under the same license.

Owner

  • Login: rockwillck
  • Kind: user
  • Company: @Sparkplug-Services

Citation (CITATION.cff) 

cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
- family-names: "Choi-Kim"
  given-names: "William"
  orcid: "https://orcid.org/0009-0000-3902-4745"
title: "SmilesDB"
version: 1.0.0
doi: 10.5281/ZENODO.15756603
date-released: 2025
url: "https://github.com/rockwillck/SmilesDB"

GitHub Events

Total
  • Watch event: 3
  • Push event: 48
  • Public event: 1
  • Pull request event: 2
  • Gollum event: 16
  • Fork event: 3
Last Year
  • Watch event: 3
  • Push event: 48
  • Public event: 1
  • Pull request event: 2
  • Gollum event: 16
  • Fork event: 3

Dependencies

requirements.txt pypi