janjoswig

Ducula

zsh-theme

CommonNNClustering

A Python package for common-nearest-neighbours clustering

MDParser

Parsers for Molecular Dynamics related file types

AlgoSB2021

Exercise material for the AlgoSB machine learning winter school in Marseille (France) 2021

DeBaCl

Density Based Clustering (DeBaCl) Toolbox

shiny-md-collection

Helper scripts and templates for common daily tasks in Molecular Dynamics analysis

Ancient

Convert between integers and roman numerals in Python

challenges

PyBites Code Challenges

Eski

Simple Cython framework for Molecular Dynamics simulations

Indirect

File system abstraction for Python based projects and workflows

Champoulion

CommonNNClustering-Benchmark

Benchmark facilities for common-nearest-neighbour clustering

cs-MSM

Core-set Markov-state model estimation

DSAWerkzeug

Hilfreiche Funktionen für "Das Schwarze Auge"

gmx2qmmm_portable

A python script to perform QM/MM calculation.

jarvispatrick

Jarvis-Patrick Clustering that uses a nearest neighbor approach to clustering objects

msmlangerin

Contribution to SciPy John Hunter Excellence in Plotting Competition 2020

scikit-learn

scikit-learn: machine learning in Python

scikit-learn-extra

scikit-learn contrib estimators