Computational chemistry and stuff
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compchem_start
compchem_start PublicHow to get started with computational chemistry research. Directed to new people in our lab, may be useful in general.
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PyEnergyDiagrams
PyEnergyDiagrams PublicForked from giacomomarchioro/PyEnergyDiagrams
This is a simple script to plot energy profile diagrams using Python and matplotlib.
Python 5
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simulation_of_biosystem_exercise
simulation_of_biosystem_exercise PublicExercise for the modeling of biological systems course.
Jupyter Notebook 2
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molmod
molmod PublicForked from molmod/molmod
MolMod is a collection of molecular modelling tools for python.
Python 1
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qmflows
qmflows PublicForked from SCM-NV/qmflows
This library tackles the construction and efficient execution of computational chemistry workflows
Jupyter Notebook 1
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