Module path 

v0.1.92: RDKit-compatible path fingerprints with bond type inclusion.

Enumerates all topological paths up to a configurable length, hashes each path (including bond types), and aggregates into a 2048-bit fingerprint. Bond types (single/double/triple/aromatic) are interleaved with atomic numbers in hash.

Structs

RdkitPathConfig

RDKit path fingerprint configuration.

Functions

rdkit_path_fp

Compute RDKit path fingerprint (Daylight-like, with bond types).

rdkit_path_fp_with_config

RDKit path fingerprint with custom config.

tanimoto_rdkit_path

Tanimoto similarity between two RDKit path fingerprints.