fgrunewald Goto Github PK
Name: Dr. Fabian Grunewald
Type: User
Company: HITS gGmbH
Bio: Independent PostDoc Fellow @HITS-Heidelberg; previously @marrink-lab
Twitter: fabigrue
Location: Heidelberg
Name: Dr. Fabian Grunewald
Type: User
Company: HITS gGmbH
Bio: Independent PostDoc Fellow @HITS-Heidelberg; previously @marrink-lab
Twitter: fabigrue
Location: Heidelberg
An open tool implementing some recommended practices for analyzing alchemical free energy calculations
Tool for generating GROMOS2016H66 definitions of molecules
A collection of conference posters
Map atomistic trajectories to CG Martini level fast and compute interactions
Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)
Tool for generating MARTINI Polymer itps and structures
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
Scripts for binary mixtures
Force fields produced by the Open Force Field Initiative
The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io
A simple Python library to generate model peptides
draft for polyply gui
A leightweight python library for parsing BigSmiles
Genetic algorithm to optimize torsion parameters for multiple dihedrals on GPUs.
tools for dealing with titratable MARTINI
This repository contains a selection of handy tools for MDAnalysis.
GROMACS implementation of TraPPE-UA force field with HH-Alkane modifications
Describe and apply transformation on molecular structures and topologies
https://fgrunewald.github.io/WeddingMelanieFabian/
webpage for testing
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.