Chenghao-Wu
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AutoPoly Public
Automatic generation of LAMMPS data file for atomistic and coarse-grained simulations of molecular and polymeric materials with various toplogies, i.e., linear & ring
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pubplot Public
plot figures with publication quality mainly used within the group
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SMolSAT Public
SMolSAT.py: Soft-Matter Molecular Simulation Analysis Toolkit
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diffrax Public
Forked from patrick-kidger/diffraxNumerical differential equation solvers in JAX. Autodifferentiable and GPU-capable. https://docs.kidger.site/diffrax/
Python Apache License 2.0 UpdatedNov 30, 2022 -
MolecularDynamics.py Public
Toy code for molecular dynamics simulation using python and numba
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awesome-equivariant-network Public
Forked from Chen-Cai-OSU/awesome-equivariant-networkPaper list for equivariant neural network
UpdatedJul 28, 2022 -
RobertoMD.jl Public
Massively parallel hybrid particle-field molecular dynamics (hPF-MD) simulation method in Julia
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jax-md Public
Forked from jax-md/jax-mdDifferentiable, Hardware Accelerated, Molecular Dynamics
Jupyter Notebook Apache License 2.0 UpdatedAug 17, 2021 -
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lammps2votca.py Public
convert lammps data file to votca topo.xml file and create the mapping file for the atomistic system
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mldl-md-dynamics Public
Forked from wwang2/mldl-md-dynamicsA repository of update in molecular dynamics field by recent progress in machine learning and deep learning.
UpdatedMar 3, 2020