Name: Ludwig Schneider
Type: User
Company: University of Chicago, Pritzker School of Molecular Engineering
Bio: Computational material designer for polymeric and soft matter using traditional simulations and machine learning.
Location: Chicago, IL, USA
Blog: ludwigschneider.net
Ludwig Schneider's Projects
This repo contains code used to tackle Challenge I of MD / AI Hackathon
Generator of SMILES string from bigSMILES with extension
Plugin for the CRIPT Python SDK to convert the data graphs to Networkx and Graphiz Dot.
Playing with JAX graphs
HOOMD-blue is a general-purpose particle simulation toolkit. It scales from a single CPU core to thousands of GPUs.
Wrapper for HOOMD-blue simulation data into DLPack data structures
A Graph Neural Network Library in Jax
An open library for the analysis of molecular dynamics trajectories
Material accompanying the Uchicago course MENG-35500/25500 winter quarter 2022
Plugin for OpenMM providing simulation data wrappers as DLPack data structures
Not really for public use.
Python Suite for Advanced General Ensemble Simulations
CRIPT Python SDK
just a test
Reimplementation of the original SOMA project.
Tutorial repo, that helps to setup github workflows.