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Ali's Projects

atomate icon atomate

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

custodian icon custodian

A simple, robust and flexible just-in-time job management framework in Python.

dekode icon dekode

dekode is a wrokflow to run necessary DFT jobs (via VASP) for aMoBT calculations.

gdso-avito icon 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.

kaggle icon kaggle

collection of my kaggle competitions

matminer_examples icon matminer_examples

A repo of examples for the matminer (https://github.com/hackingmaterials/matminer) code

misc_codes icon misc_codes

This repository is meant to sharing some miscellaneous codes with colleagues and others where git gist or other means fail

mpworks icon mpworks

merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project

pymatgen icon 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.

pymatgen-db icon 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.

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