Yi Yao's repositories
cp2k_wfn_reader
a python module to read and write cp2k wavefunction files
yaoyi92.github.io
Yi Yao's personal website
AI-Plays-FlappyBird
Using genetic algorithm and neural networks to teach AI to play flappy bird.
awesome-tensorflow
TensorFlow - A curated list of dedicated resources http://tensorflow.org
cms-python-dev
MolSSI training example project
EAM_liquid_Hg
EAM potential for liquid Hg Belashchenko_2013 in lammps eam.alloy format
enumerate-expressions
Enumerate expressions with n variables without repetition
kyle_vmd
using vmd to visualize a traj
LeetCode
This repository contains the solutions and explanations to the algorithm problems on LeetCode. Only medium or above are included. All are written in C++/Python and implemented by myself. The problems attempted multiple times are labelled with hyperlinks.
leetcode_templates
My templates
mlearn
Benchmark Suite for Machine Learning Interatomic Potentials for Materials
molssidevops
This is an example repo for the MolSSI Bootcamp, July 9-10, 2018
PlotDigitizer
Python3 app to digitize plot (Under developement)
qball
Qball (also known as qb@ll) is a first-principles molecular dynamics code that is used to compute the electronic structure of atoms, molecules, solids, and liquids within the Density Functional Theory (DFT) formalism. It is a fork of the Qbox code by Francois Gygi.
qbox-public
Qbox public repository
reinforcement-learning
Implementation of Reinforcement Learning Algorithms. Python, OpenAI Gym, Tensorflow. Exercises and Solutions to accompany Sutton's Book and David Silver's course.
scf-xn-testsuite
Set of Kohn-Sham DFT inputs (CASTEP format) for which the SCF iterations are difficult to converge
TensorFlow-Examples
TensorFlow Tutorial and Examples for Beginners with Latest APIs
transport_property_data
Data collection for transport properties of materials with the focus on the electrical conductivity on semiconductors for now.
unc-dissertation
LaTeX template and class file for a UNC doctoral dissertation.