PyCatRobin: Python module to analyze time-on-stream Catalyst testing results from Round Robin test
Python API for the Surface Reactions database on Catalysis-Hub.org, used for querying and uploading data.
Python library which seamlessly perform high-throughput DFT + ICOHP calculations along with all data analysis which is config Driven
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
A machine learning environment for atomic-scale modeling in surface science and catalysis.
Software for enumerating crystal structure prototypes and exploring them with active learning
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