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scikit-matter Public
Forked from scikit-learn-contrib/scikit-matterA collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities
Python BSD 3-Clause "New" or "Revised" License UpdatedMar 26, 2024 -
practical-programming-in-chemistry-exercises Public
Forked from schwallergroup/2024-practical-programming-in-chemistry-exercisesJupyter Notebook MIT License UpdatedMar 25, 2024 -
ppchem Public
Example repository as a teaching aid for class "CH-200: Practical Programming in Chemistry" at EPFL.
UpdatedMar 14, 2024 -
practical-programming-in-chemistry-milestones Public
Forked from schwallergroup/practical-programming-in-chemistry-milestonesUpdatedMar 14, 2024 -
quantum_HEOM Public
A tool to model the bath relaxation dynamics of open quantum systems by Lindblad and Hierarchical Equations of Motion (HEOM) approaches.
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ExpressYeaself Public
Forked from yeastpro/ExpressYeaselfAn open source predictive model of protein expression in yeast, written in Python.
Jupyter Notebook MIT License UpdatedJun 25, 2019 -
abFlow Public
A tool to calculate and visualise molecular orbitals using RHF and DFT, written in MATLAB.
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SPEEDCOM Public
Forked from emissible/SPEEDCOMSpectra prediction software and GUI for anyone to use.
Jupyter Notebook MIT License UpdatedMar 21, 2019