by GCBC Ventures | Aug 26, 2020 | Machine Learning
Hyperparameter Search With GPyOpt: Part 1 – Scikit-learn Classification and Ensembling Hyperparameter Search With GPyOpt: Part 2 – XGBoost Classification and Ensembling GPyOpt Python Package Using GPyOpt Best Result and Ensembling Results 1. GPyOpt Python Package...
by GCBC Ventures | Apr 28, 2020 | Machine Learning, Papers
Deep Learning for Toxicity and Disease Prediction is a collection of 12 articles published as a free ebook. Below is an excerpt.
by GCBC Ventures | Apr 21, 2020 | Machine Learning
GPyOpt Python Package Using GPyOpt Best Result and Ensembling Results Code 1. GPyOpt Python Package GPyOpt is a Python open-source library for Bayesian Optimization developed by the Machine Learning group of the University of Sheffield. It is based on GPy, a Python...
by GCBC Ventures | Apr 9, 2020 | Machine Learning, Papers
In this paper, the authors modified a seq2seq RNN constructed for language translation to a seq2seq RNN autoencoder (specifically for SMILES input-output) so that the resultant latent data space could be used as molecular fingerprints for subsequent machine learning...
by GCBC Ventures | Apr 7, 2020 | Machine Learning, Papers
In this interesting paper, the authors use a multi input neural network to predict various small molecule properties in which one branch is a multilayer perceptron with MACCS fingerprints and the other is one of a RNN, 1D CNN, 1D CNN-RNN with SMILES. On various data...
