Simulation for Chemistry
BSD-3-CLAUSE License
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How to do Bayesian statistical modelling using numpy and PyMC3
PDBeMolstar as anywidget
Notebook tutorials for MolecularGraph.jl
Quanformer is a Python-based pipeline for generating conformers, preparing quantum mechanical (QM...
Jupyter notebooks for demo/projects, now that github supports them
Jupyter Noteboks for lecture and assignments for CHEM 1000: Mathematics for Chemistry at Universi...
Jupyter Widgets to interact with molecular datasets.
Package to teach chemometrics in the context of fermentation processes