Data publication prototype
This is currently a prototype in three parts:
- A set of wireframes and templates for a data publishing application, in the
- A frontend application based on this concept, that runs in the Web browser - see the
- A backend script which illustrates the technology and conversion and packaging process, in the root folder.
See Development setup below for deployment instructions.
This project challenge is aimed at supporting researchers from the domain of chemical science, however our prototype is designed to be useful to the wider scientific community, making it possible to create Archive Forges for different fields of endeavour and user audiences.
Example of principle users of the Archive Forge:
- Principal investigator of a research group, who uses the tool share consistent and homogeneous data with students and faculty.
- Scientific journal editor asking authors to submit supplementary information and complementary data.
Our initial goal is to propose a web application that should make it obvious what is desired for production of a Data Package.
Wireframes of the UI are below:
General demo example
Scroll down for details on running the Python-based backend.
Install Node.js > 12 and run, in the app folder:
npm run serve
To start a development server.
Install RDKit and Python > 3.6
To install Python libraries, run:
pip install dataflows
Alternatively, we have set up an Anaconda environment which helps to ease cross-platform issues:
- Install Anaconda
- Set up the archive-forge environment:
conda env create -f environment.yml
- Activate the environment:
conda activate archive-forge
Once your environment is ready, you can run the data integration script:
An example REST server is provided for integration with the frontend, which we leave as an exercise for the reader: