kirstenwinther

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at SUNCAT, SLAC National Accelerator Laboratory

Menlo Park, CA

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SUNCAT-Center

Kirsten Winther's repositories

CatalysisHubCLI

Note: this project has been moved to CatKit. https://github.com/SUNCAT-Center/CatKit

Language:Python100

CatHub

Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.

Language:PythonGPL-3.0100

CatKit

General purpose tools for high-throughput catalysis

Language:PythonGPL-3.0100

cgcnn

Crystal graph convolutional neural networks for predicting material properties.

Language:PythonMIT100

ase-espresso

ase interface for Quantum Espresso

Language:PythonGPL-3.0000

CatalysisHubBackend

Backend for the Catalysis-hub database build with Flask, GraphQL and SQLAlchemy

Language:PythonGPL-3.0000

CatalysisHubFrontend

A react front-end to the CatApp database

Language:JavaScriptMIT000

decaf-espresso

Light weight wrapper for ASE integration with Quantum Espresso

Language:PythonGPL-3.0000

fireworks

The Fireworks Workflow Management Repo.

Language:PythonNOASSERTION000

Protosearch

Software for enumerating crystal structure prototypes and exploring them with active learning

Language:Python000

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.

MIT000

RapiDOS

Easy plotting of PDOS from VASP calculations

Language:Python000