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python-pcl

Use the industry-standard Point Cloud Library from within Python.

Big data
High performance computing

Python
C++
Makefile
+ 2

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

Fortran
Python
CMake

GitHub action to set up apptainer

GitHub action for setting up apptainer in a Continous Integration job

High performance computing

TypeScript
Shell
JavaScript

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

Python
TypeScript
JavaScript
+ 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

Shell
Dockerfile
Roff
+ 4