sdfrust 0.6.0

A fast, pure-Rust parser for SDF, MOL2, and XYZ chemical structure files
Documentation
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//! Molecular fingerprint algorithms.
//!
//! Provides fingerprint generation for similarity searching, ML features,
//! and virtual screening. Currently implements ECFP (Extended Connectivity
//! Fingerprints) / Morgan fingerprints.

pub mod ecfp;

pub use ecfp::{EcfpFingerprint, ecfp, ecfp_counts};