Ecosyste.ms: Repos

An open API service providing repository metadata for many open source software ecosystems.

GitHub / SUNCAT-Center 9 repositories

A machine learning environment for atomic-scale modeling in surface science and catalysis.

Language: Python - Size: 89.9 MB - Last synced: 13 days ago - Pushed: 10 months ago - Stars: 96 - Forks: 61

General purpose tools for high-throughput catalysis

Language: Python - Size: 24.9 MB - Last synced: 13 days ago - Pushed: 4 months ago - Stars: 79 - Forks: 48

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

Language: Python - Size: 5.49 MB - Last synced: 14 days ago - Pushed: 4 months ago - Stars: 23 - Forks: 12

Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening

Language: Python - Size: 9.69 MB - Last synced: about 1 month ago - Pushed: about 1 month ago - Stars: 86 - Forks: 98

This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.

Language: Python - Size: 30.7 MB - Last synced: about 1 month ago - Pushed: over 5 years ago - Stars: 15 - Forks: 5

Plotting module for free energy diagrams

Language: Python - Size: 1.58 MB - Last synced: about 1 month ago - Pushed: over 7 years ago - Stars: 8 - Forks: 3

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

Language: Python - Size: 223 MB - Last synced: about 1 month ago - Pushed: over 1 year ago - Stars: 12 - Forks: 11

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

Language: JavaScript - Size: 6.83 MB - Last synced: about 1 month ago - Pushed: over 1 year ago - Stars: 5 - Forks: 15

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

Language: Python - Size: 35.4 MB - Last synced: about 1 month ago - Pushed: 3 months ago - Stars: 4 - Forks: 3