Highlights
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myScripts Public
Script library mainly about chemical physics.
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cookbook Public
Miscellaneous IPython notebooks about chemical physics and science teaching.
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pychemcurv Public
Discrete and local curvature applied to chemistry and chemical reactivity
Jupyter Notebook MIT License UpdatedFeb 29, 2024 -
pychemcurv-app Public
This is a web application using the pychemcurv module for local curvature analyzes of molecules
Python MIT License UpdatedNov 14, 2023 -
probability-density-qm Public
Visualization of the probability density in quantum chemistry
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chromatorand Public
Dash application to produce random chromatogram from a student number
Python UpdatedFeb 16, 2023 -
dash-example-NBA Public
A web app hosted on heroku as an example to learn Dash
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pymatgen Public
Forked from materialsproject/pymatgenPython Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…
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dash-mosaica Public
Dash application for the Mosaica project
Python GNU General Public License v3.0 UpdatedJan 13, 2021 -
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abaque Public
Dash web application to produce abaque from three dimensional data.
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Slater Public
Slater type atomic orbital and slater's rule
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bandstructureplots Public
Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.
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xpsplot Public
python classes in order to quickly plot XPS data.
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TPstats Public
Django webapp in order to collect data and compute simple statistical informations
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exampleProg Public
Programming from examples
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tikzorbital Public
LaTeX/Tikz package. It provides several commands in order to draw atomic orbitals and molecular orbitals diagrams.
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tango-colors Public
Tango colors definition for use with python, latex and other ...
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Cargol Public
A short and sequential molecular dynamics code
GNU General Public License v2.0 UpdatedMay 28, 2014