dagonzalezfo

Python-software-engineering

Repository for participants of the "Python software engineering" training

rust-by-example

Learn Rust with examples (Live code editor included)

resolvo-rpm

Resolver for RPM packages

debugging

Course Material and description for the Debugging Course offered by Aalto Science IT

gentoo

[MIRROR] Official Gentoo ebuild repository

shrinkwrap

A tool that embosses the needed dependencies on the top level executable

cvmfs-tutorial-hpc-best-practices

Contents for "Best Practices for CernVM-FS in HPC" tutorial

wheels_builder

easy_update

Update EasyBuild package configuration files for R and Python bundles

quantum_algorithms

Codes accompanying the paper "Quantum algorithm implementations for beginners"

software-layer

Software layer of the EESSI project

diffrax

Numerical differential equation solvers in JAX. Autodifferentiable and GPU-capable. https://docs.kidger.site/diffrax/

hdf5-cmake-example

CMake HDF5 hello world example.

modeps

Tool that resolves module dependencies

lsyncd

Lsyncd (Live Syncing Daemon) synchronizes local directories with remote targets

easybuild-framework

EasyBuild is a software installation framework in Python that allows you to install software in a structured and robust way.

cvmfs

The CernVM File System

easybuild-easyconfigs

A collection of easyconfig files that describe which software to build using which build options with EasyBuild.

gp_regression

A Primer on Gaussian Processes for Regression Analysis (PyData NYC 2019)

chemml

ChemML is a machine learning and informatics program suite for the chemical and materials sciences.

vasputil

Command-line utilities and Python libraries designed to make life with VASP easier

dftbplus

DFTB+ general package for performing fast atomistic simulations

sumo

Heavyweight plotting tools for ab initio calculations

cclib

Parsers and algorithms for computational chemistry logfiles

mlcourse.ai

Open Machine Learning Course

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.