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lstm model and dataset (first excited state)
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Version 2
Version 2 2020-04-13, 22:08
Version 2 2020-04-13, 22:08
Version 1 2020-04-07, 17:49
Version 1 2020-04-07, 17:49
software
posted on 2020-04-13, 22:08
authored by
Lena Simine
Lena Simine
We've developed this code in order to train an LSTM model (python, tensorflow) on molecular data (inter-ring dihedrals of P3HT polymers) to predict polymer absorption spectra from minimal input.
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Categories
Optical properties of materials
Theory and design of materials
Keywords
Computational Chemistry
Optical Properties of Materials
Theory and Design of Materials
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MIT
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