SUNCAT-Center

CatalysisHubFrontend Public
A react front-end to the Catalysis-Hub.Org database

JavaScript 6 MIT 9 0 5 Updated Mar 21, 2022
CatHub Public
Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.

Python 12 GPL-3.0 8 0 0 Updated Mar 18, 2022
CatKit Public
General purpose tools for high-throughput catalysis

Python 47 GPL-3.0 27 6 1 Updated Jan 31, 2022
CatalysisHubBackend Public
Backend for the Catalysis-hub database build with Flask, GraphQL and SQLAlchemy

Python 10 GPL-3.0 9 0 3 Updated Nov 8, 2021
catmap Public
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening

Python 60 GPL-3.0 76 34 0 Updated Jul 23, 2021
Protosearch Public
Software for enumerating crystal structure prototypes and exploring them with active learning

Python 3 2 0 0 Updated Oct 12, 2020
CatLearn Public
A machine learning environment for atomic-scale modeling in surface science and catalysis.

Python 72 GPL-3.0 49 9 (1 issue needs help) 2 Updated Jul 7, 2020
AtomicStructureGenerator Public
This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.

Python 10 6 0 0 Updated Feb 7, 2019
hori Public
Plotting module for free energy diagrams

Python 6 3 0 0 Updated Nov 7, 2016

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