Usage¶
Run cathub
, like so
cathub --help
or with any of its sub-commands, like so
cathub make_folders_template --help
Examples¶
To create an .json input file for a folder structure
cathub make_folders_template project1.json --create-template
To create a folder structure from a .json input file
cathub make_folders_template project1.json
Reading folders into sqlite3 db file:
cathub folder2db <foldername>
Sending the data to the Catalysis Hub server:
cathub db2server <dbfile>
Querying the Catalysis Hub database:
cathub reactions -q reactants=CO -q chemicalComposition=~Pt
cathub publications -q title=~Evolution -q year=2017