by GCBC Ventures | Feb 19, 2020 | Machine Learning
Hyperparameter Search With Optuna: Part 1 – Scikit-learn Classification and Ensembling Hyperparameter Search With Optuna: Part 2 – XGBoost Classification and Ensembling Introduction Using Optuna With Keras Results Code 1. Introduction In this article, we use the...
by GCBC Ventures | Feb 10, 2020 | Machine Learning
Introduction Using Bayesian Optimization Ensembling and Results Code 1. Introduction In this article we use the Bayesian Optimization (BO) package to determine hyperparameters for a 2D convolutional neural network classifier with Keras. 2. Using Bayesian Optimization...
by GCBC Ventures | Jan 12, 2020 | Cheminformatics, Machine Learning
Previous articles in this series: Prediction of Small Molecule Lipophilicity: Part 1 – Data Exploration Prediction of Small Molecule Lipophilicity: Part 2 – TPOT (Tree-based Pipeline Optimization Tool) With Morgan (Circular) Fingerprints Prediction of Small Molecule...
by GCBC Ventures | Jan 7, 2020 | Cheminformatics, Machine Learning
Previous articles in this series: Prediction of Small Molecule Lipophilicity: Part 1 – Data Exploration Prediction of Small Molecule Lipophilicity: Part 2 – TPOT (Tree-based Pipeline Optimization Tool) With Morgan (Circular) Fingerprints Prediction of Small Molecule...
by GCBC Ventures | Sep 29, 2019 | Bioinformatics, Machine Learning
Introduction Data Simple 1D CNN Simple 1D CNN With Cross Validation And Early Stopping Code 1. Introduction In Deep Learning for Cancer Immunotherapy, Leon Eyrich Jessen used various machine learning algorithms to classify peptide binding strength into three classes,...
