deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

dpdata

Manipulating DeePMD-kit, VASP, LAMMPS data formats.

dpmd_tools

du-1---hlubina-2

pocitanie odporu iteracnym vztahom

eigen__test

test of basic Eigen external library functions

eulerova-metoda

eulers method for solving ODEs

eulerova-metoda-a-newton

eulers metohod for solving ODEs - implicit

finite-diference-method

finite diferences method for solving ODEs boundary problems

google-images-download

Python Script to download hundreds of images from 'Google Images'. It is a ready-to-run code!

gragg-bulirsch-stoer-method

ode solver based on Richardson extrapolation, modified midpoint rule and adaptive stepsize control

hartree_fock

Domaca uloha hlubina 2 atom He - energia zakladneho stavu pomocou aproximacie Hartreeho-Focka

lammps-dp-feedstock

A conda-smithy repository for lammps-dp.

lyricsfinder

Retrieve lyrics.

marian-code

metoda-sieti

mesh method for ODEs boundary problems

open-tandoor-data

Repository to collect structured data about basic recipe related objects like foods, units, supermarkets, ...

python-lint-annotate

Zero-configuration GitHub Action to maintain code quality with push and PR annotations.

ray

Ray is a unified framework for scaling AI and Python applications. Ray consists of a core distributed runtime and a set of AI Libraries for accelerating ML workloads.

recipe-scrapers

Python package for scraping recipes data

simulation_visualizer

ssh-utilities

SSH convenience functions and classes built on paramiko. Loosely follows API of os.path subprocess.run and pathlib.Path

tdma

TDMA (Thomas) algorithm for solving tridiagonal systems of linear equations

tieneny-coulombov-potencial

computing critical screeening factor for yukawa type potential (screened coulomb potential) using Gragg–Bulirsch–Stoer method for shooting wavefunctions

wikipedia-music-tags

Music tagger with GUI that parses wikipedia for information. Can also download album art and lyrics.