Tactic MMIC translator for MDAnalysis/MMSchema
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Updated
Jan 3, 2022 - Python
Tactic MMIC translator for MDAnalysis/MMSchema
About This is code for analyzing the xtc file used in GROMACS, a molecular dynamics simulation program.
Multivariate analysis for glass type dataset. Techniques applied: PCA, LDA/QDA and clustering
Python code for publication investigating Synaptotagmin-1 membrane interaction
Cookiecutter repo for MD analysiS -standalone-.
Face detection (class and pose) using various Classifiers - Own Implementation
This is code for analyzing the gro/xtc file used in GROMACS, a molecular dynamics simulation program.
Analyze interactions between two fully-charged PAA chains with varying amounts of CaCl2 added
Analysis postprocessing utilities for my molecular dynamics simulations of LiTFSI-Ether mixtures
Tutorial for SPIDAL presentation at workshop, showing how to use Midas radical.pilot to analyze an ensemble of MD trajectories with Path Similarity Analysis (as implemented in MDAnalysis).
Auxiliary tools and scripts initially made for my PhD projects.
Transfer Li ions from cathode to anode in MD simulations
Command line interface for MDAnalysis
Python module: Calculation of helices angle during MD
Molecular Dynamics - Simulation Analysis and Preparation Suite
Analysis scripts for the CHARMM GUI Drude Prepper Paper
Face recognition using various classifiers
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