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api-documentation-openapi

OpenAPI definition of the Citrination API

bajaj_cc

bajaj_di

bajaj_projects

Misc projects in Python

cdips_bakeryproject

Kaggle project as part of the CDIPS workshop

citrine-python-converter-template

Converter template for python

citrine_ml_tut

ML tutorials from Citrine

coding-challenge

csv_template_ingester

Ingester extension for CSV files following a template

defect_diagram_template_parser

dftparse

Simple parsers for DFT codes

doping_levels_study

dsp

data science preparation

fireworks

The Fireworks Workflow Management Repo.

jupyter-centos

learn-citrination

Training materials

matmethods

MatMethods is a powerful software for computational materials science and contains pre-built workflows.

mongodb_postproc

Scripts written for parsing and post-processing the web-scraped Pauling file database

p4ds

pfhub

The CHiMaD Phase Field Community Website

pif-dft

Tools for converting from DFT codes into PIF objects

pif-ingestor

Script to import common data formats to citrination

pint

Operate and manipulate physical quantities in Python

pop-files

Parsing and convering POP files to useful data structures

popparsing

Parsing POP files with pyparsing

predictbulkmodulus

A Flask Project to predict the bulk modulus of a material using a machine learning model

pycalphad-fitting

Fitting thermodynamic models with pycalphad

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

pymks

Materials Knowledge System in Python

pypif

Python toolkit for working with PIFs