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smiles-to-aiomfac-inp

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andizuend / S2AS__SMILES_to_AIOMFAC

Automatic generation of AIOMFAC model input files based on molecular component SMILES

smiles smarts aiomfac-smarts s2as smiles-to-aiomfac s2as-tool smiles-to-aiomfac-inp

Updated Oct 1, 2025
Python

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