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2022-02-22-helmholtz-online

Genomics Data Carpentry Workshop

bempp_exafmm_paper

Manuscript repository for our research paper, including reproducibility packages for all results, and latex source files.

cs-mpip

Files for the coding seminars given at the MPIP

dforce

dForce is a scientific tool aimed for dynamic force microscopy enthusiasts

dnanexus-internal-collaboration

dualskin-

This repository contains the algorithm to use 2 or more different skin sizes for heterogeneous simulations. The code is currently implemented in Espresso++, however it can be adapted to any other MD engine.

espresso

The ESPResSo package

espressopp

Main ESPResSo++ repository

euroscipy_proceedings

Tools used to generate the SciPy conference proceedings

exercisescssp

Repository with some hints and solutions of exercises for the Computational Simulations in Statistical Physics from JGU

hespadda

ESPResSo++ repository with the implementation of the new heterogeneous Domain Decomposition Algorithm HeSpaDDA

hupvel

Hierarchical updates of Verlet lists

matchs

Method for AdapTive and Concurrent Heterogeneous Simulation

mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

messpp

This is a repository for a minimized version of the MD package ESPResSo++

myjnb2share

Collection of Juypter notebooks for temporary sharing with Collabs.

notebooks_phase1

A collection of Jupyter notebooks used to interact between molecular and continuum scale simulations

nxtal

xTal growth repo

partycls

Unsupervised learning of structure in systems of interacting particles.

pydampf

pyDAMPF: a Python package for modeling mechanical properties of hygroscopic materials under interaction with a nanoprobe

pygbe

PyGBe: Python, GPUs and Boundary elements for electrostatics

scipy-sprints-2014

An awesome repository for learning how to sprint

scipy_proceedings

Tools used to generate the SciPy conference proceedings

scipyla2016

sirahhespadda

The conjuction of the MS ff technique to the HeSpaDDA algorithm

slowvarphasesep

This is a collaboration project aiming to study the phase separation of very dense polymer melts

superharm

Dynamic system simulator

toolspqr2pdb

How to read wirte PQRs and convert them to PDBs for RNA simulations

training-course

Instructor training course

xtalgrowth

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