Chenghao-Wu
Molecular Simulator from (M)^3 Lab @ Xi'an Jiaotong Liverpool University, Suzhou, China
Evanston, USA
Pinned Repositories
AutoMD.py
An asistant for automating your molecular dynamics
AutoPoly
Automatic generation of LAMMPS data file for atomistic and coarse-grained simulations of molecular and polymeric materials with various toplogies, i.e., linear & ring
awesome-equivariant-network
Paper list for equivariant neural network
Chenghao-Wu.github.io
Personal Page
lammps2votca.py
convert lammps data file to votca topo.xml file and create the mapping file for the atomistic system
LAMMPSDataReader.jl
lammps data reader wriiten in Julia
MolecularDynamics.py
Toy code for molecular dynamics simulation using python and numba
pubplot
plot figures with publication quality mainly used within the group
RobertoMD.jl
Massively parallel hybrid particle-field molecular dynamics (hPF-MD) simulation method in Julia
SMolSAT
SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit
Chenghao-Wu's Repositories
Chenghao-Wu/SMolSAT
SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit
Chenghao-Wu/RobertoMD.jl
Massively parallel hybrid particle-field molecular dynamics (hPF-MD) simulation method in Julia
Chenghao-Wu/AutoPoly
Automatic generation of LAMMPS data file for atomistic and coarse-grained simulations of molecular and polymeric materials with various toplogies, i.e., linear & ring
Chenghao-Wu/AutoMD.py
An asistant for automating your molecular dynamics
Chenghao-Wu/Chenghao-Wu.github.io
Personal Page
Chenghao-Wu/lammps2votca.py
convert lammps data file to votca topo.xml file and create the mapping file for the atomistic system
Chenghao-Wu/LAMMPSDataReader.jl
lammps data reader wriiten in Julia
Chenghao-Wu/MolecularDynamics.py
Toy code for molecular dynamics simulation using python and numba
Chenghao-Wu/pubplot
plot figures with publication quality mainly used within the group
Chenghao-Wu/awesome-equivariant-network
Paper list for equivariant neural network
Chenghao-Wu/diffrax
Numerical differential equation solvers in JAX. Autodifferentiable and GPU-capable. https://docs.kidger.site/diffrax/
Chenghao-Wu/jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
Chenghao-Wu/LAMMPSTrjReader.jl
LAMMPS Trajectory Reader Written in Julia
Chenghao-Wu/mldl-md-dynamics
A repository of update in molecular dynamics field by recent progress in machine learning and deep learning.
Chenghao-Wu/RobertoMD_examples
Example of RobertoMD simulations