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Jan Domański's Projects

autodock-vina icon autodock-vina

Protein-ligand docking code autodock vina from vina.scripps.edu

awesome-cv-public icon awesome-cv-public

:page_facing_up: Awesome CV is LaTeX template for your outstanding job application

docs icon docs

Documentation for Docker Official Images in docker-library

duolingo_automation icon duolingo_automation

A Selenium-based project that automates signing in and translating basic Duolingo tasks.

examples icon examples

Infrastructure, containers, and serverless apps to AWS, Azure, GCP, and Kubernetes... all deployed with Pulumi

formula.js icon formula.js

JavaScript implementation of most Microsoft Excel formula functions

googletest icon googletest

Googletest - Google Testing and Mocking Framework

griddataformats icon griddataformats

GridDataFormats provides the Python package 'gridData'. It contains a class ('Grid') to handle data on a regular grid --- basically NumPy n-dimensional arrays. It supports reading from and writing to some common formats (such as OpenDX). A version of the package is hosted on PyPi so that it should be possible to simply install with 'easy_install GridDataFormats'.

gromacswrapper icon gromacswrapper

GromacsWrapper is a python package that wraps system calls to Gromacs tools into thin classes. This allows for fairly seamless integration of the gromacs tools into python scripts. This is generally superior to shell scripts because of python’s better error handling and superior data structures. It also allows for modularization and code re-use. In addition, commands, warnings and errors are logged to a file so that there exists a complete history of what has been done.

handsontable icon handsontable

Handsontable Community Edition - JavaScript/HTML5 Data Grid Component with Spreadsheet Look & Feel. Available for React, Vue and Angular.

handsontable-pro icon handsontable-pro

Handsontable Pro - Premium JavaScript/HTML5 Data Grid Component with Spreadsheet Look & Feel. Available for React, Vue and Angular.

hawktracer icon hawktracer

HawkTracer is a highly portable, low-overhead, configurable profiling tool built in Amazon Video for getting performance metrics from low-end devices.

jobengine icon jobengine

Manage MD simulations across multiple computing clusters

jstat icon jstat

JavaScript Statistical Library

mdanalysis icon mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

openff-toolkit icon openff-toolkit

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

paramchem icon paramchem

Python scrapper for paramche/cgenff server, small molecule parametrization

peergos icon peergos

A p2p, secure file storage, social network and application protocol

plumedwrapper icon plumedwrapper

Read plumed2 http://www.plumed.org COLVAR files as pandas DataFrames https://pandas.pydata.org

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