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KinBot installation (Under construction)

✓ Published0🌍 Public
VVioletVivirand
Last edited Oct 19, 2021
Created on Oct 7, 2021

This example documents the installation of KinBot, a software tool for exploring chemical reaction networks. It shows a step-by-step setup process, including compiling Open Babel with Python bindings using CMake3 and creating a Python virtual environment. The code relies on RDKit, zadorlab/ase, MESMER, NumPy, Scikit-learn, and Matplotlib as dependencies, with shell commands for installing RPM packages and building the software. The visualization presents the build directory structure and error messages encountered during compilation, making the technical workflow explicit.

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