Closed Jnelen closed 10 months ago
There was a small oversight in the example file. The cdk's atompairs fingerprint was renamed to cdk-atompairs (to avoid confusion with the one from rdkit). Now this is also updated in the example file.
There was a small oversight in the example file. The cdk's atompairs fingerprint was renamed to cdk-atompairs (to avoid confusion with the one from rdkit). Now this is also updated in the example file.