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Update README.md
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Ktera1988 authored Jan 31, 2021
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# Trained RNN network
We trained a RNN network using the above SMILES dataset. The trained network files are located at FL_ChemTS/RNN_model/.

# Generated molecules
The generated 3,643 molecules are listed in the FL_ChemTS/generated_mols/result.csv file. The file contains following information: generated molecules (SMILES), calculated absorption and fluorescence wavelengths and their oscillator strengths, and basic information such as molecular weight.

# License
This package is distributed under the MIT License.

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