{"library":"selfies","title":"SELFIES","description":"SELFIES (SELF-referencIng Embedded Strings) is a general-purpose, sequence-based, robust representation of semantically constrained graphs, primarily used for molecular structures in cheminformatics and ML. Current version 2.2.0, releases every few months.","language":"python","status":"active","last_verified":"Fri May 01","install":{"commands":["pip install selfies"],"cli":null},"imports":["from selfies import encoder","from selfies import decoder"],"auth":{"required":false,"env_vars":[]},"quickstart":{"code":"from selfies import encoder, decoder\n\nsmiles = \"CCO\"  # ethanol\nselfies_str = encoder(smiles)\nprint(selfies_str)  # [C][C][O]\n\nsmiles_back = decoder(selfies_str)\nprint(smiles_back)  # CCO","lang":"python","description":"Basic encode/decode a SMILES string.","tag":null,"tag_description":null,"last_tested":null,"results":[]},"compatibility":null}