SUNCAT-Center

Pinned Repositories

AtomicStructureGenerator
This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.
Language:Python18 2 05
CatalysisHubBackend
Backend for the Catalysis-hub database build with Flask, GraphQL and SQLAlchemy
Language:Python12 4 310
CatalysisHubFrontend
A react front-end to the Catalysis-Hub.Org database
Language:JavaScript5 5 414
CatHub
Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.
Language:Python28 8 316
CatKit
General purpose tools for high-throughput catalysis
Language:Python91 12 1853
CatLearn
A machine learning environment for atomic-scale modeling in surface science and catalysis.
Language:Python108 18 2664
catmap
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
Language:Python101 19 78108
hori
Plotting module for free energy diagrams
Language:Python9 2 02
Protosearch
Software for enumerating crystal structure prototypes and exploring them with active learning
Language:Python6 2 13

SUNCAT-Center's Repositories

SUNCAT-Center/CatLearn
A machine learning environment for atomic-scale modeling in surface science and catalysis.
Language:Python108 18 2664
SUNCAT-Center/catmap
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
Language:Python101 19 78108
SUNCAT-Center/CatKit
General purpose tools for high-throughput catalysis
Language:Python91 12 1853
SUNCAT-Center/CatHub
Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.
Language:Python28 8 316
SUNCAT-Center/AtomicStructureGenerator
This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.
Language:Python18 2 05
SUNCAT-Center/CatalysisHubBackend
Backend for the Catalysis-hub database build with Flask, GraphQL and SQLAlchemy
Language:Python12 4 310
SUNCAT-Center/hori
Plotting module for free energy diagrams
Language:Python9 2 02
SUNCAT-Center/Protosearch
Software for enumerating crystal structure prototypes and exploring them with active learning
Language:Python6 2 13
SUNCAT-Center/CatalysisHubFrontend
A react front-end to the Catalysis-Hub.Org database
Language:JavaScript5 5 414