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overreact

Here are 4 public repositories matching this topic...

geem-lab / overreact

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

python cli automation library dsl modeling first-principles computational-chemistry reactions chemical-kinetics thermochemistry overreact microkinetics in-silico quantum-tunneling rrho computational-chemistry-logfiles qrrho

Updated Nov 15, 2024
Python

geem-lab / overreact-guide

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

Updated Jan 4, 2023
Jupyter Notebook

geem-lab / overreact-data

Data used for testing overreact. Includes data related to a manuscript in preparation.

python library chemistry computational-chemistry compchem chemical-kinetics thermochemistry vibrational-entropies overreact quasi-harmonic-approximation catalysis quasi-harmonic chemical-kinetics-simulator rrho computational-chemistry-logfiles

Updated Feb 16, 2023

JaceHensley / vscode-over-react-snippets

VS Code OverReact Snippets

dart snippets vscode vscode-extension overreact

Updated Dec 13, 2018

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