Software List
This page contains a partial software inventory of applications, libraries, and binary packages available on the HPC. This list is not comprehensive and is open to contributions.
Applications and Tools#
- ABINIT
- ABySS
- Agisoft Metashape
- Apptainer
- Atsas
- BEST
- BLAT
- BWA
- Bowtie 2
- CDO
- CellRanger
- CryoSPARC
- DFTB+
- DSuite
- DosBox
- ELPA
- FASTA
- FFTW
- FFmpeg
- FMRIPrep
- FPLO
- FSL
- FastQC
- FastX-Toolkit
- FigTree
- FreeSurfer
- GROMACS
- GSL
- GULP
- Gaussian
- Grace
- JAGS
- Julia
- JupyterLab
- LAAMPS
- MAFFT
- MATLAB
- MUMmer
- Meshroom
- NAMD
- NWChem
- Ncview
- NiftyReg
- Node.js
- ORCA
- OpenFOAM
- OpenRefine
- P4VASP
- Panopoly
- ParaView
- Picard
- PyMol
- QuantumESPRESSO
- R (statistical software)
- RELION
- SPSS
- STAR
- Samtools
- Stata
- TURBOMOLE
- TopHat
- TotalView
- Trimmomatic
- VASP
- VMD
- VisIt
- WGrib
- WIEN2k
- Wannier90
- bcl2fastq
- bedtools
- dcraw
- gemBS-rs
- migrate-n
- pkg-config
- tesseract
- xTB
- xmgrace
Bioinformatics#
Interpreters and Compilers#
Libraries#
- ANTS
- ARPACK
- Armadillo C++
- BLAS
- CUDA
- CmdSTAN
- HDF4
- HDF5
- Kokkos
- LAPACK
- MPI for Python (mpi4py)
- MVAPICH
- NetCDF
- OpenBLAS
- OpenCV
- OpenMPI
- ScaLAPACK
- h5py
- nbo7
Machine Learning#
Materials Science and Computational Chemistry#
OOD#
- Agisoft Metashape
- CryoSPARC
- FigTree
- Jupyter Notebooks
- JupyterLab
- MATLAB
- Meshroom
- OpenRefine
- Panopoly
- ParaView
- PyMol
- R (statistical software)
- RELION
- Spyder IDE
- Stata
- VMD
- VisIt
- xmgrace