"Atomic democracy" for site analysis of surfaces and bulks with known lattice structure(s).
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Updated
Feb 8, 2020 - Python
"Atomic democracy" for site analysis of surfaces and bulks with known lattice structure(s).
A package for multiple-scale simulations on the dynamical and kinetic processes in materials
Building and analyzing residue interaction networks with cofactors (includes tutorial).
A Python module for performing data analysis of atomistic trajectories relevant for glasses and supercooled liquids.
Molecular Dynamics Trajectory Analysis Tools
Repository for my senior design project/thesis code
Machine Learning Transition State Analysis (MLTSA) suite with Analytical models to create data on demand and test the approach on different types of data and ML models.
A user-friendly Python package to manipulate input and output files of LAMMPS molecular dynamics code. One Python class per LAMMPS file type. Include conversion into pandas DataFrame.
A Jekyll website for the research guides--UNIX, AMBER, Analysis, and R.
A python molecular dynamics data analysis tool.
A library for the Analysis of Molecular Dynamics Simulations of Self Assembling Peptides. Started during an internship at CNTE, Niguarda Hospital, Milan
A package to find collective variables of dynamical systems by training neural networks
Reactive molecular dynamics trajectory analysis
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