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8 search results found

⚗ A package useful for chemistry written in Python

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

General purpose tools for high-throughput catalysis

Overreact ⭐ 45

⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.

Reactorch ⭐ 21

A Differentiable Reacting Flow Simulation Package in PyTorch

The Tandem Tool (T3) for automated chemical kinetic model development

Overreact Guide ⭐ 6

⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data

Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.

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