All software
PyTorch Performance Analysis
Lessons on PyTorch Performance Analysis: from Profiling to Optimization
- deep learning
- GPU
- High performance computing
- + 3
- Jupyter Notebook
- Python
QMCTorch
Use and design neural network ansatz wave function for real-space quantum Monte Carlo simulations of molecular systems.
- Computational Chemistry
- GPU
- High performance computing
- + 2
- Python
- TeX
QUICKLB
QUICKLB is a very efficient library that sacrifices optimality for speed. It shines in distributed applications that have unpredictable unbalanced computational peaks in their domains.
- Computational Fluid Dynamics (CFD)
- Fortran
- High performance computing
- + 2
- CMake
- Fortran
- Python
GitHub action to set up apptainer
GitHub action for setting up apptainer in a Continous Integration job
- High performance computing
- JavaScript
- Shell
- TypeScript
slurm-mongo
A package to download slurm usage from a supercomputer and upload it to MongoDB
- Big data
- High performance computing
- SLURM
- Python
Slurm time on Jupyter
Display Slurm job remaining time in Jupyter top bar
- High performance computing
- jupyter notebooks
- SLURM
- CSS
- JavaScript
- Python
- + 1
sv-gen
Highly portable parallel workflow to generate artificial genomes with structural variants.
- Big data
- High performance computing
- Workflow technologies
- Python
- Shell
votca-xtp
VOTCA-XTP is a library which allows you to calculate the electronic properties of organic materials
- High performance computing
Xenon Docker images
For your testing needs a collection of Docker images with different file systems and batch schedulers.
- High performance computing
- Workflow technologies
- Clojure
- Dockerfile
- Python
- + 4