CafChem Vibrations
by agents-mcp-hackathonco.huggingface.agents-mcp-hackathon/cafchem-vibrations
- Remote endpoint
- 1 tool
- MIT
Tools
CafChem_Vibrations_calc_vibrationsCalculate the vibrational frequencies of a molecule using the META UMA MLIP, starting from a SMILES string. Returns: The vibrational frequencies of the molecule in cm-1, the low, frequency motions (typically corresponding to translation or, rotation), and the number of imaginary frequencies in a text string
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