Classyfire CLI

This is a command line interface for the Classyfire API, which is based on the batch API calling. It allows you to classify chemical compounds at large scale.

Installation

pip install classyfire-cli

Usage

Use SMILES:

classyfire input.txt output.json

Use InChI:

classyfire --identifier InChI input.txt output.json

Export to TSV:

classyfire input.txt output.tsv