Hi CDK-ers, I've released chemfp 3.5 with CDK support, and updated the documentation with examples of how to use the new cdk2fps program, starting with:
https://chemfp.readthedocs.io/en/latest/using-tools.html#generate-fingerprints-with-cdk I am far from a proficient CDK users, so let me know of any places where I didn't handle things correctly Installation directions are at https://chemfp.com/download/ . For help in getting the Python/Java connector working, see https://chemfp.readthedocs.io/en/chemfp-3.5/installing.html#install-cdk Thanks to John Mayfield for answering questions about how to work with CDK. Cheers! Andrew da...@dalkescientific.com _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
