SMC Benchmarking v1.0.0

A set of well-known supramolecular cages were selected from the literature to evaluate and validate cavity detection methods in the supramolecular cage context.

Cavity detection methods explored in this benchmarking are:

• parKVFinder (v1.2.0);
• pyKVFinder (v0.5.1);
• Fpocket (v3.1.4.2);
• pywindow (v0.0.4);
• POVME 3.0 (v3.0.35);
• GHECOM (v21/07/2020);
• CAVER (v3.0.2);
• MoloVol (v1.0.0).

Full Changelog: https://github.com/LBC-LNBio/SMC-Benchmarking/commits/v1.0.0