compounds

🧪 A comprehensive chemistry library for Python.

Compound splitter for German language ("Komposita-Zerlegung") based on large dictionary combined with highly efficient multi-pattern string search

Reproducible exploration of organic photovoltaic morphology self-assembly using molecular dynamics.

A python package for mapping compounds via UniChem

Pretty simple first project. The script converts list of compounds into SMILES with the help of Pubchem API. Just put .xlsx file for your compound and an output .xlsx file will get generated containing names and canonical SMILES.