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echanj's Projects

cnn_2d_lattice_diffuse icon cnn_2d_lattice_diffuse

A convolutional neural network (CNN) trained on simulated X-ray images, taking inspiration from similar CNN applications for biological samples.

dafed icon dafed

A cute implementation of the DAFED and AFED approach for double well potential in python2.7

echanj.github.io icon echanj.github.io

A data science portfolio page! Based on a Minimal Jekyll theme for GitHub Pages.

evccpmre icon evccpmre

EVCCPMRE is a python based wrapper program to perform replica exchange MC for Crystal Structure Prediction using a modified version of the fortran program UPACK. EVCCP stands for "Extended Variables Coupled to Crystal Polymorphs".

evpt_2d_toy_models icon evpt_2d_toy_models

These are codes of toy physics models that contain building blocks for understanding the concept behind EVCCPMC

logical_rule_extraction icon logical_rule_extraction

Project on machine learning task at extracting simple logical rules for distinguishing edible and poisonous mushrooms.

mhsa_vs_crime_geomap icon mhsa_vs_crime_geomap

Notebooks for data science project that aims to gain insight into the influence of mental health care shortages on crime rates.

mol2lammps icon mol2lammps

A set of open-source conversion scripts than enable a user to generate input files for the molecular dynamics code LAMMPS

zmcgui icon zmcgui

ZMCGUIv1.0 is the prototype of a graphical user interface for the ZMC Fortran codes which performs a Gaussian Network Monte Carlo simulation of a molecular crystal.

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