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does not support dictionary
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JacksonBurns committed Dec 16, 2024
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"cell_type": "markdown",
"metadata": {},
"source": [
"This demo notebook demonstrates how to query the packaged fastsolv model to predict the solubility of a solution. Input data must be structured as a dataframe or dictionary with solvent_smiles, solute_smiles, and temperature columns/keys containing the appropriate data for each solution. "
"This demo notebook demonstrates how to query the packaged fastsolv model to predict the solubility of a solution. Input data must be structured as a Pandas DataFrame with solvent_smiles, solute_smiles, and temperature columns/keys containing the appropriate data for each solution. "
]
},
{
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