Pinned Repositories
2PT
Two phase approximation (solid + gas) for performing thermodynamic calculations on liquids.
aml
A... M... L...
chenggroup.github.io
XMU Chenglab Wiki
crane-modules-el8
Module (lmod) files for Crane (el8) [read-only mirror]
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
dmol-book
Deep learning for molecules and materials book
freud
Powerful, efficient particle trajectory analysis in scientific Python.
GDPy
Generating Deep Potential with Python
GenIce
A swiss army knife to generate proton-disordered ice structures.
gle4md
Utilities to generate input parameters for Generalized Langevin Equation thermostats
JJiang-Amoy's Repositories
JJiang-Amoy/2PT
Two phase approximation (solid + gas) for performing thermodynamic calculations on liquids.
JJiang-Amoy/aml
A... M... L...
JJiang-Amoy/chenggroup.github.io
XMU Chenglab Wiki
JJiang-Amoy/crane-modules-el8
Module (lmod) files for Crane (el8) [read-only mirror]
JJiang-Amoy/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
JJiang-Amoy/dmol-book
Deep learning for molecules and materials book
JJiang-Amoy/freud
Powerful, efficient particle trajectory analysis in scientific Python.
JJiang-Amoy/GDPy
Generating Deep Potential with Python
JJiang-Amoy/GenIce
A swiss army knife to generate proton-disordered ice structures.
JJiang-Amoy/gle4md
Utilities to generate input parameters for Generalized Langevin Equation thermostats
JJiang-Amoy/guides
Documentation Hugo theme Toha. https://github.com/hossainemruz/toha.
JJiang-Amoy/hcc-conda-recipes
Read-only mirror of the HCC conda recipes repo.
JJiang-Amoy/hcc-modules
Module (lmod) files that are common across all HCC resources. [Read-only mirror]
JJiang-Amoy/hcc-software-install-notes
Install notes and scripts for software on HCC resources. [Read-only mirror]
JJiang-Amoy/hpc-toolset-tutorial
Tutorial for installing Open XDMoD, OnDemand, & ColdFront
JJiang-Amoy/hugo-toha.github.io
An example hugo static site with Toha theme.
JJiang-Amoy/jax-md
Differentiable, Hardware Accelerated, Molecular Dynamics
JJiang-Amoy/jjiang-amoy.github.io
JJiang-Amoy/jraph
A Graph Neural Network Library in Jax
JJiang-Amoy/lammps-logfile
Tool to read a logfile produced by LAMMPS into a simple python data structure with a get()-function providing the log data.
JJiang-Amoy/MOSP
JJiang-Amoy/msmbuilder
:building_construction: Statistical models for biomolecular dynamics :building_construction:
JJiang-Amoy/ppafm
Classical force field model for simulating atomic force microscopy images.
JJiang-Amoy/ProgrammingProjects
C++ Programming Tutorial in Chemistry
JJiang-Amoy/qMSM_tutorial
A Tutorial for quasi Markov State Model(qMSM) developed by Huang Group, Dept of Chemistry at UW-Madison
JJiang-Amoy/RASPA2
Classical molecular simulation code
JJiang-Amoy/REANN
JJiang-Amoy/SciencePlots
Matplotlib styles for scientific plotting
JJiang-Amoy/toha
A Hugo theme for personal portfolio
JJiang-Amoy/toolbox
Assorted libraries and utilities for atomistic simulation analysis