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that paper has a 10.000 x 10.000 NTRL parameters database, that is generated via training a GPT-3-like model. One of the authors in the paper is from OpenAI. Sadly, the model itself it closed source, so it is impossible at the moment to generate NRTL parameters from SMILES using their model, just use the published parameters.
paper: https://doi.org/10.1016/j.fluid.2023.113731
data: https://polybox.ethz.ch/index.php/s/unM7rbgj2FQPFdy (size: 6 gb)
The text was updated successfully, but these errors were encountered:
that paper has a 10.000 x 10.000 NTRL parameters database, that is generated via training a GPT-3-like model. One of the authors in the paper is from OpenAI. Sadly, the model itself it closed source, so it is impossible at the moment to generate NRTL parameters from SMILES using their model, just use the published parameters.
paper: https://doi.org/10.1016/j.fluid.2023.113731
data: https://polybox.ethz.ch/index.php/s/unM7rbgj2FQPFdy (size: 6 gb)
The text was updated successfully, but these errors were encountered: