Chenghao-Wu

Bruce's repositories

Massively parallel hybrid particle-field molecular dynamics (hPF-MD) simulation method in Julia

Language:JuliaMIT12 4 2

SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit

Language:C++10 30

An asistant for automating your molecular dynamics

Language:Python7 2 1

Automatic generation of LAMMPS data file for atomistic simulations of molecular and polymeric materials

Language:PythonMIT500

Personal Page

Language:SCSSMIT2 20

craft your matplotlib plots for scientific publication

Language:PythonNOASSERTION2 20

convert lammps data file to votca topo.xml file and create the mapping file for the atomistic system

Language:Python1 10

Toy code for molecular dynamics simulation using python and numba

Language:Python1 20

Paper list for equivariant neural network

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Numerical differential equation solvers in JAX. Autodifferentiable and GPU-capable. https://docs.kidger.site/diffrax/

Language:PythonApache-2.0010

Differentiable, Hardware Accelerated, Molecular Dynamics

Language:Jupyter NotebookApache-2.0010

lammps data reader wriiten in Julia

Language:Julia020

LAMMPS Trajectory Reader Written in Julia

Language:Julia020

A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.

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Example of RobertoMD simulations

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