R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)
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R Package: iqspr 1.0 (latest version 2.4) https://github.com/GLambard/inverse-molecular-design
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Included pre-trained Bayesian linear models used in the code: models.RData
[Please download the following two files as well]
linear_Bayes_params_1.RDa: https://drive.google.com/open?id=11C5EqFloTV_S910ZnzY35ei55vlAzBD0
linear_Bayes_params_2.RDa: https://drive.google.com/open?id=1yBBEy16q-dY9kka42QCoy4KFC_yjqF8D
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Included one csv file used for LCP-likeliness screening: LC_frags.csv
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Main code for candidate generation: iqspr4polymer.R