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kcantosh's Projects

ramanpy icon ramanpy

Raman tensor calculation using finite displacement method

reinforcement-learning icon reinforcement-learning

Implementation of Reinforcement Learning Algorithms. Python, OpenAI Gym, Tensorflow. Exercises and Solutions to accompany Sutton's Book and David Silver's course.

seq2seq icon seq2seq

A general-purpose encoder-decoder framework for Tensorflow

setupkpoints icon setupkpoints

Uses the SeeKpath program and the ASE package to generate standardised sets of special points and paths between them for any given crystal structure.

sisl icon sisl

Scientific Python toolbox for large scale tight-binding and electronic structure calculations (DFT and NEGF analysis)

snaxs icon snaxs

Simulating Neutron And X-ray Scans; a tool for condensed-matter scientists studying phonons using neutron scattering

spinw icon spinw

SpinW Matlab library for spin wave calculation

stat159-f17 icon stat159-f17

Reproducible & Collaborative Data Science, Fall 2017 - Main class website

supercell icon supercell

The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.

sym-modes icon sym-modes

Python scripts created by the Materials Theory and Design Group to help with symmetry mode analysis

tamkin icon tamkin

TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.

td-dft icon td-dft

Time dependent DFT post processing scripts for Quantum Espresso & ce-tddft output files

tensorflow icon tensorflow

Computation using data flow graphs for scalable machine learning

tikit icon tikit

Resources for topological insulator calculations

triqs icon triqs

a Toolbox for Research on Interacting Quantum Systems

turicreate icon turicreate

Turi Create simplifies the development of custom machine learning models.

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