Run BBB-Nuke on your compounds.

Install the CLI and score molecules from your terminal.

pip install bbbnuke

bbbnuke score-single --smiles "CC(=O)Oc1ccccc1C(=O)O" --name aspirin

bbbnuke screen --input compounds.csv --output results.json

bbbnuke report --input results.json
bbbnuke heatmap --input results.json
bbbnuke tmap --input results.json