Pinned Repositories
auto_cat
Tools for automated structure generation of catalyst systems
dft-input-gen
Python library to generate input files for DFT codes.
dftparse
Simple parsers for DFT codes
dftparse
Simple parsers for DFT codes
enumerate
A python tool for enumeration of configurations of mixing on a site in a crystal structure.
fireworks
The Fireworks Workflow Management Repo.
icsd-queryer
A python module to query data programmatically from the ICSD.
janaf-scraper
Webdriver-based scraper for NIST-JANAF thermochemical tables.
kelpie
A lean Python library for managing VASP runs on HPCs.
qmpy
A suite of computational materials science tools.
hegdevinayi's Repositories
hegdevinayi/icsd-queryer
A python module to query data programmatically from the ICSD.
hegdevinayi/janaf-scraper
Webdriver-based scraper for NIST-JANAF thermochemical tables.
hegdevinayi/dftparse
Simple parsers for DFT codes
hegdevinayi/enumerate
A python tool for enumeration of configurations of mixing on a site in a crystal structure.
hegdevinayi/fireworks
The Fireworks Workflow Management Repo.
hegdevinayi/hegdevinayi.github.io
My personal webpage.
hegdevinayi/kelpie
A lean Python library for managing VASP runs on HPCs.
hegdevinayi/mint
Materials Interface: methods in computational materials science
hegdevinayi/pif-dft
Tools for converting from DFT codes into PIF objects
hegdevinayi/q-e
Mirror of the Quantum ESPRESSO repository
hegdevinayi/qmpy
A suite of computational materials science tools.
hegdevinayi/vasp_input_generator
A library to prepare the input files for a VASP calculation of a given structure.