Selfies Python Packages

peplink

Peptide <-> SMILES utilities for monomer peptides with non-canonical residues, terminal modifications, and selected cyclizations.

schemist

⬢⬢⬢ Organizing and processing tables of chemical structures.

molgen

Lightweight toolkit for de novo molecular generation: SMILES & SELFIES tokenizers, CharRNN / MolGPT / VAE models, training, sampling, and MOSES-style metrics.

molecular-string-renderer

A python utility for rendering 2D molecular graph images given a string representation (SMILES, SELFIES)