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Hitarth Choubisa's Projects

catlearn icon catlearn

A machine learning environment for atomic-scale modeling in surface science and catalysis.

coding_exercises icon coding_exercises

Repo containing some fun coding exercises - compiled from several sources

csc2547_uoft icon csc2547_uoft

Assignment solutions to CSC2547 and STA4273 at University of Toronto, Spring 2019 term

d-band-center icon d-band-center

Calculate s, p or d band centers from VASP DOSCAR files using python 3

darwin icon darwin

Interpretable discovery of materials using machine learning

deepmd-kit icon deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

ece1657_uoft icon ece1657_uoft

ECE1657 Game Theory at UofT assignment and its solutions

effectivemass icon effectivemass

Materials Studio (DMol3 and CASTEP) tools for calculating effective mass and electron density difference.

effmass icon effmass

Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.

emc icon emc

Effective Mass Calculator for Semiconductors

emukit icon emukit

Fork of emukit for classification

gb-ga icon gb-ga

Graph-based genetic algorithm

grove icon grove

Quantum algorithms built using pyQuil.

irnet icon irnet

A General Purpose Deep Residual Regression Framework for Materials Discovery.

kalman-filter icon kalman-filter

Basic Implementation of Kalman filter given state and output matrix assuming we know noise variances.

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