Biosciences, Bioinformatics and Biomedicine

Name

Links

Category

Restricted License

GPU Acceleration

Abyss

Homepage

Install with bioconda

High-Throughput
Sequencing

  

Adam

Homepage

Install with bioconda

High-Throughput
Sequencing

  

Bowtie2

Homepage

Install with bioconda

High-Throughput
Sequencing

  

Burrow-Wheeler
Aligner

Homepage

Install with bioconda

High-Throughput
Sequencing

  

Delly

Homepage

Install with bioconda

High-Throughput
Sequencing

  

Fastp

Homepage

Install with bioconda

High-Throughput
Sequencing

  

GATK3

Homepage

Install with bioconda

High-Throughput
Sequencing

  

GATK4

Homepage

Install with bioconda

High-Throughput
Sequencing

  

Pear

Homepage

Install with bioconda

High-Throughput
Sequencing

  

Sambamba

Homepage

Install with bioconda

High-Throughput
Sequencing

  

Selscan

Homepage

Install with bioconda

High-Throughput
Sequencing

  

Beagle-lib

Homepage

Install with bioconda

Linkage/
Phylogenetics

  

RAxML

Homepage

Install with bioconda

Linkage/
Phylogenetics

  

Maxquant

Homepage

Install with bioconda

Mass Spectrometry

Maxquant Freeware Software License

 

Autodock-vina

Homepage

Install with bioconda

Molecular Docking

  

Blast

Homepage

Install with bioconda

Sequence Analysis

  

Diamond

Homepage

Install with bioconda

Sequence Analysis

  

Magicblast

Homepage

Install with bioconda

Sequence Analysis

  

Meme

Homepage

Install with bioconda

Sequence Analysis

  

rDock

Homepage

Install with bioconda

Structural Biology

  

Canu

Homepage

Install with bioconda

Third generation
sequencing

  

Circlator

Homepage

Install with bioconda

Third generation
sequencing

  

DALIGNER

Homepage

Install with bioconda

Third generation
sequencing

  

DBG2OLC

Homepage

Install with bioconda

Third generation
sequencing

  

Flye

Homepage

Install with bioconda

Third generation
sequencing

  

MHAP

Homepage

Install with bioconda

Third generation
sequencing

  

Miniasm

Homepage

Install with bioconda

Third generation
sequencing

  

Raven

Homepage

Install with bioconda

Third generation
sequencing

  

SMARTdenovo

Homepage

Install with bioconda

Third generation
sequencing

  

SPAdes

Homepage

Install with bioconda

Third generation
sequencing

  

Wtdbg2

Homepage

Install with bioconda

Third generation
sequencing

  

Cromwell

Homepage

Install with bioconda

Workflow manager

  

Nextflow

Homepage

Install with bioconda

Workflow manager

  

Snakemake

Homepage

Install with bioconda

Workflow manager

  

Engineering Sciences
NameLinks  Category Restricted License GPU Acceleration
OpenFOAM Homepage CAE, CFD and Engineering 
ABINIT  Homepage Chemistry
Atomic Simulation Environment  Homepage Chemistry
CP2K Homepage Chemistry
GPAW Homepage Chemistry
Libxc Homepage Chemistry
NWChem Homepage Chemistry
Psi4 Homepage Chemistry
Q-Chem Homepage Chemistry End users require valid unlimited-core license
WRF Homepage Geosciences 
GROMACS Homepage Molecular Dynamics
LAMMPS Homepage Molecular Dynamics
NAMD Homepage Molecular Dynamics Non-
commercial
use

Libraries

NameLinks CategoryRestricted LicenseGPU Acceleration
oneDNNHomepage
AI, Machine and Deep Learning  
BoostHomepageData and I/O  
HDF5HomepageData and I/O  
NetCDFHomepageData and I/O  
NetCDF Fortran HomepageData and I/O  
Parallel HDF5 HomepageData and I/O  
Armadillo HomepageMath and Numerical Libraries   
ARPACK-NG HomepageMath and Numerical Libraries   
FFTWHomepageMath and Numerical Libraries   
GNU Scientific Library HomepageMath and Numerical Libraries   
Intel MKLHomepageMath and Numerical Libraries Available to end users via. A*CRC site license 
METISHomepageMath and Numerical Libraries   
PLASMAHomepageMath and Numerical Libraries   
qrupdateHomepageMath and Numerical Libraries   
SCOTCHHomepageMath and Numerical Libraries   
SuiteSparse HomepageMath and Numerical Libraries   
Intel MPIHomepageMPI LibrariesAvailable to end users via. A*CRC site license 
mpi4pyHomepageMPI Libraries  
MVAPICH2HomepageMPI Libraries  
OpenMPIHomepageMPI Libraries  
SGI MPT and SHMEM HomepageMPI LibrariesClosed source, for use on Stratus HPC system. 

Compilers and Languages

Name

Links

Category

Restricted
License

GPU
Acceleration

GNU Compiler
Collection 

Homepage 

 

 

Compilers

Intel Compilers 

Homepage 

Compilers

Available to end
users via 
A*CRC site license

Intel SPMD
Program Compiler 

Homepage 

Compilers

GNU Octave 

Homepage 

Scientific / Programming
Languages

Intel Distribution
for Python

Homepage 

Scientific / Programming
Languages

Python

Homepage

Scientific / Programming
Languages

R

Homepage

Scientific / Programming
Languages


Tools

Name

Links

Category

Restricted
License 

GPU
Acceleration
 

CMake

Homepage

Development Tools 

EasyBuild

Homepage 

Development Tools 

GNU
Autotools

Homepage 

Development Tools 

Intel Parallel
Studio XE 

Homepage 

Development Tools 

Available to end
users via A*CRC
site license

ImageMagick

Homepage 

Graphics and
Visualisation 

ParaView

Homepage 

 

 

 

Graphics and
Visualisation 

PAPI

Homepage 

Performance Tools

SGI MPI
PerfBoost 

Homepage 

Performance Tools

Closed source,
for use on
Stratus HPC
system.

SGI MPI
Perfcatcher 

Homepage 

Performance Tools

Closed source,
for use on
Stratus HPC
system.

Valgrind

Homepage 

Performance Tools

hwloc

Homepage 

System Tools

Singularity

Homepage 

System Tools