kcantosh Goto Github PK

20171206_ml_basics_thw

a_little_book_of_python_for_multivariate_analysis

A Little Book of Python for Multivariate Analysis

alamode

Ab initio simulator for thermal transport and lattice anharmonicity

allm

ALLM: Active Learning for Accelerated Design of Layered Materials

ascends

Advanced data SCiEnce toolkit for Non-Data scientists

ascii-phonons

Blender extensions for illustrations of phonons

asetk

Toolkit using the Atomistic Simulation Environment (ASE)

atpos

quick code for permutations of atom positions for a many-atom system input in PWscf

automatminer

An automatic engine for predicting materials properties.

aviz

Atomistic Simulation Vizualization software

awesome-datascience

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

awesome-deep-learning

A curated list of awesome Deep Learning tutorials, projects and communities.

bandstructureplots

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

bayesian_optimization_material_design

Accelerated Design of Layered Materials with Bayesian Optimization

berkeleygw-scripts

Set of input templates and shell scripts to run an elecltronic bandstructure calculation with BerkeleyGW from scratch

berrypi

Software to study polarization of crystalline solids with density functional all-electron package

bgwpy

BerkeleyGW python

carndinfo

This Repository includes list of projects on Self Driving Car model building, pipeline creation for sensor fusion, localization and control.

casmcode

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

charged-defects

charged defect analysis

cheatsheets-ai

Essential Cheat Sheets for deep learning and machine learning researchers

chem101.6

chemps2

CheMPS2: a spin-adapted implementation of DMRG for ab initio quantum chemistry

chernnubmer

Using different methods to calculate Chern number for Haldane model with disorder

chgcar_pbc

coms4995-s18

COMS W4995 Applied Machine Learning - Spring 18

comsuite

courses

Course materials for the Data Science Specialization: https://www.coursera.org/specialization/jhudatascience/1

coursework

summer school coursework

crest

The Charge Reservoir Electrostatic Sheet Technique wrapper program