kcantosh

qmcpack_workshop_2019

QMCPACK Users Workshop 2019

scipy-lecture-notes

Tutorial material on the scientific Python ecosystem

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.

ALLM

ALLM: Active Learning for Accelerated Design of Layered Materials

practicalAI

A practical approach to learning machine learning.

up

Bayesian_Optimization_Material_design

Accelerated Design of Layered Materials with Bayesian Optimization

datacamp-python-data-science-track

All the slides, accompanying code and exercises all stored in this repo. 🎈

OpenFermion-PySCF

OpenFermion plugin to interface with the electronic structure package PySCF.

CASMcode

First-principles statistical mechanical software for the study of multi-component crystalline solids

pyUSID_Tutorial

Introduction to Spectral and Image processing in Python

bandstructureplots

Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.

Python-Lectures

IPython Notebooks to learn Python

COMS4995-s18

COMS W4995 Applied Machine Learning - Spring 18

pycalphad-tutorial

An short example based guide to pycalphad.

spinw

SpinW Matlab library for spin wave calculation

ESPEI

Fitting thermodynamic models with pycalphad

pbpython

Code, Notebooks and Examples from Practical Business Python

glosim2

A rehaul of the glosim code, adding new features and removing many unused ones.

galore

Gaussian and Lorentzian smearing of simulated spectra

r4ds

R for data science

asetk

Toolkit using the Atomistic Simulation Environment (ASE)

data-science-ipython-notebooks

Data science Python notebooks: Deep learning (TensorFlow, Theano, Caffe, Keras), scikit-learn, Kaggle, big data (Spark, Hadoop MapReduce, HDFS), matplotlib, pandas, NumPy, SciPy, Python essentials, AWS, and various command lines.

TensorFlow-Examples

TensorFlow Tutorial and Examples for Beginners with Latest APIs

PythonMachineLearning

Practice and tutorial-style notebooks covering wide variety of machine learning techniques

PythonDataScienceHandbook

Python Data Science Handbook: full text in Jupyter Notebooks

DeepSpeech

A TensorFlow implementation of Baidu's DeepSpeech architecture

tensorflow

Computation using data flow graphs for scalable machine learning

pytorch-tutorial

PyTorch Tutorial for Deep Learning Researchers

awesome-datascience

:memo: An awesome Data Science repository to learn and apply for real world problems.