docker/install_dependencies.R

In PaoloBnn/Retip: Retention Time Prediction for Metabolomics

install.packages('rJava', repos='http://cran.rstudio.com/')

install.packages('devtools', version='2.4.5', repos='http://cran.rstudio.com/')
install.packages('caret', version='6.0-94', repos='http://cran.rstudio.com/')
install.packages('ggplot2', version='3.5.1', repos='http://cran.rstudio.com/')
install.packages('rcdk', version='3.8.1', repos='http://cran.rstudio.com/')
install.packages('rcdklibs', version='2.9', repos='http://cran.rstudio.com/')
install.packages('doParallel', version='1.0.17', repos='http://cran.rstudio.com/')
install.packages('stringi', version='1.8.4', repos='http://cran.rstudio.com/')
install.packages('lattice', version='0.22-5', repos='http://cran.rstudio.com/')
install.packages('randomForest', version='4.7-1.1', repos='http://cran.rstudio.com/')
install.packages('xgboost', version='1.7.7.1', repos='http://cran.rstudio.com/')
install.packages('brnn', version='0.9.3', repos='http://cran.rstudio.com/')
install.packages('lightgbm', version='4.3.0', repos='http://cran.rstudio.com/')
install.packages('h2o', version='3.44.0.3', repos='http://cran.rstudio.com/')
install.packages('gtable', version='0.3.5', repos='http://cran.rstudio.com/')
install.packages('grid', version='4.4.0', repos='http://cran.rstudio.com/')
install.packages('gridExtra', version='2.3', repos='http://cran.rstudio.com/')
install.packages('reticulate', version='1.37', repos='http://cran.rstudio.com/')

devtools::install_github('olobion/Retiplib')
devtools::install_github('olobion/Retip')