The ISA HPC cluster brings together thirty compute nodes under a Debian-based Linux distribution (Debian stretch 9) with the following softvares and dedicated services

Theoretical Chemistry softwares

  • Gaussian 9 and 16
  • Gauss View 5
  • ADF with ADF modules, BAND, …
  • Orca
  • Amber (molecular dynamics)


Data Analysis softwares

  • rstudio
  • Matlab including among others the PLS-toolbox and the bio-informatics toolbox
  • Python modules for omic data analysis


Services under development

  • GALAXY platform
  • NMRProcFlow Platform v1.2