Pinned Repositories
atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
CompoundSearch
A repo to help you find if a chemical formula is new or known
custodian
A simple, robust and flexible just-in-time job management framework in Python.
dekode
dekode is a wrokflow to run necessary DFT jobs (via VASP) for aMoBT calculations.
FigRecipes
recipes for making figures (plotting)
gdso-avito
Predicting the demand for listed items in Avito (Russian Craigslist) from a combination of tabular, text and image data. This is for example to set the seller's expectation based on their listing.
Handy-VASP-DFT-Calculations-Scripts
Some reading/plotting or data extraction scripts that may become handy when doing DFT calculations with VASP
amset
Electronic transport properties from first-principles calculations
atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
matminer
Data mining for materials science
albalu's Repositories
albalu/Handy-VASP-DFT-Calculations-Scripts
Some reading/plotting or data extraction scripts that may become handy when doing DFT calculations with VASP
albalu/dekode
dekode is a wrokflow to run necessary DFT jobs (via VASP) for aMoBT calculations.
albalu/gdso-avito
Predicting the demand for listed items in Avito (Russian Craigslist) from a combination of tabular, text and image data. This is for example to set the seller's expectation based on their listing.
albalu/FigRecipes
recipes for making figures (plotting)
albalu/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
albalu/CompoundSearch
A repo to help you find if a chemical formula is new or known
albalu/custodian
A simple, robust and flexible just-in-time job management framework in Python.
albalu/DSW2018-tutorials
Tutorials for GDSO at Berkeley Data Science Workshop
albalu/effectivepython
Effective Python: Source Code and Errata for the Book
albalu/fireworks
The Fireworks Workflow Management Repo.
albalu/kaggle
collection of my kaggle competitions
albalu/materials.sh
materials.sh
albalu/matminer
data mining for Materials Science
albalu/matminer_examples
A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code
albalu/misc_codes
This repository is meant to sharing some miscellaneous codes with colleagues and others where git gist or other means fail
albalu/MPWorks
merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project
albalu/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.
albalu/pymatgen-db
Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the creation of Materials Project-style databases for management of materials data.
albalu/training-data-analyst
Labs and demos for courses for GCP Training (http://cloud.google.com/training).
albalu/transform
Input pipeline framework