sci-form 0.15.1

High-performance 3D molecular conformer generation using ETKDG distance geometry
Documentation 
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//! Smallest Set of Smallest Rings (SSSR) perception and ECFP fingerprints.
//!
//! - SSSR: Identifies the fundamental cycle basis of the molecular graph
//! - ECFP: Extended-Connectivity Fingerprints (Morgan algorithm)

pub mod ecfp;
pub mod sssr;

pub use ecfp::{compute_ecfp, compute_tanimoto, ECFPFingerprint};
pub use sssr::{compute_sssr, RingInfo};