/tools/FASMIFRA

FASMIFRA

UnixJunkie/FASMIFRA

57 stars8 forksOCamlAdded February 4, 2026
summary

FASMIFRA is a tool for generating molecules quickly from a training set of molecular fragments using a method that matches the distribution of the training set. It also includes functionality for fragmenting molecules and has been evaluated in the GuacaMol benchmark for molecular generation methods.

description

Molecular Generation by Fast Assembly of SMILES Fragments

topics

smilesmolecular-generationmolecular-fragmentsdeepsmilesdistribution-matchingcadddistribution-reproductionfragment-based

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