libchemistry-opensmiles-perl
OpenSMILES format reader and writer
Description
Chemistry::OpenSMILES provides support for SMILES chemical identifiers conforming to OpenSMILES v1.0 specification. Chemistry::OpenSMILES::Parser reads in SMILES strings and returns them parsed to arrays of Graph::Undirected objects. Each atom is represented by a hash. Chemistry::OpenSMILES::Writer performs the inverse operation. Generated SMILES strings are by no means optimal.Upload more screenshots
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Homepage
https://metacpan.org/release/Chemistry-OpenSMILES
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