mordred-core 0.1.0

Core molecular descriptor calculator — Rust port of mordred
Documentation
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pub mod atom;
pub mod bond;
pub mod element;
pub mod mol;
pub mod rings;
pub mod smiles;

pub use atom::Atom;
pub use bond::{Bond, BondOrder};
pub use element::Element;
pub use mol::Molecule;
pub use rings::RingInfo;
pub use smiles::parse_smiles;