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advent_of_code

advent_of_code_2018

Contribute your solutions to Advent of Code 2018 and be inspired by others.

aktuella-uppgifter-i-scratch

Material för Kodcentrums kodstugor höstterminen 2015 - för kollaborativ utveckling av volontärer och kansli.

analysisweb-backend

The backend part of the Analysis Web platform

analysisweb-frontend

The front end part of the Analysis Web platform

analysisweb-user

A package for user configuration of the Analysis Web platform

analysisweb-utils

Utilities for the Analysis web platform

auto-crop

Tool to automatically crop images based on shapes

auto_martini

Automatic MARTINI parametrization of small organic molecules

cluster-assess

A python package for assessing cluster sizes

deepchem

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

disk_usage

Instruction on usage of common storage disk and backup

elba

Blogging and tutorials on how to setup, run and analyse simulations with the Elba and Elba/AA force fields

elbatools

Tools to parameterize, setup and analyse simulations with the ELBA force field

figgy

A Tetris-like game with pygame zero

fortnite-demo

A demo of Fortnite stats for Kodcentrum

gothpy

Code presented at GothPy

ired

Scripts to perform iRED analysis with Amber

kaggle

kvint

lammps

Public/backup repository of the lammps source

learning-numbers

Simple script to learn numbers

linear_logp

A linear model of water/octanol partition coefficients

ml-playground

A library that wraps most common usage of scikit-learn for building simple ML models

networkx

Network Analysis in Python

notebooks

Notebooks on various topics, mostly for blog posts

paramelba

Set of tools to parameterise the molecules for the ELBA force field

parmed

Parameter/topology editor and molecular simulator

probescheduler

Java program to schedule probes

project-euler

Solutions to project Euler problems