CCGenome

Using

• bokeh server
• sqlite database backend (AiiDA database backend in alpha)
• jsmol for structure visualization

Prerequisites

• python
• nodejs >= 6

Installation

pip install -e .     # install python dependencies
bokeh serve --show figure detail   # run app

Configuration

Feel free to adapt this app to your own needs:

Input data

MUch of the data has been already converted to a sql db, for use in the calculation methods. For visualising individual structures you need to have a zipped "structures.tar.gz" containing all the structures at the same level as the docker-compose. This is availible on the MaterialsCloud S3.

Plots

The plots can be configured using a few YAML files:

• figure/columns.yml: defines metadata for columns of CSV file
• figure/filters.yml: defines filters available in plot
• figure/presets.yml: defines presets for axis + filter settings

Docker

docker compose build
docker compose up
# open http://localhost:3249/select-figure