#chemistry #smiles #parser #formula #open-smiles

smiles-parser

SMILES (chemical formula) parser based on the OpenSMILES spec

6 releases (3 breaking)

0.4.1 Nov 15, 2020
0.4.0 Nov 14, 2020
0.3.0 Nov 12, 2020
0.2.1 Mar 26, 2020
0.1.0 Nov 23, 2019

#530 in Science

Download history 1/week @ 2023-11-06 1/week @ 2023-11-13 14/week @ 2023-11-20 8/week @ 2023-11-27 12/week @ 2023-12-04 8/week @ 2023-12-18 12/week @ 2023-12-25 6/week @ 2024-01-01 6/week @ 2024-01-22 12/week @ 2024-01-29 3/week @ 2024-02-05 23/week @ 2024-02-12 142/week @ 2024-02-19

180 downloads per month

MIT/Apache

145KB
1K SLoC

smiles-parser - SMILES parser in Rust based on the OpenSMILES spec

Crates.io version docs.rs docs

Installation

Via cargo-edit:

cargo add smiles-parser

Usage

Parse a chain (top-level object):

use smiles_parser::chain;

let chain = chain(b"C1CCC2(CC1)CO2");
assert!(chain.is_ok());

License

Licensed under either of Apache License, Version 2.0 or MIT license at your option.
Unless you explicitly state otherwise, any contribution intentionally submitted for inclusion in this crate by you, as defined in the Apache-2.0 license, shall be dual licensed as above, without any additional terms or conditions.

Dependencies

~2.5MB
~56K SLoC