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