Simulation for Chemistry
BSD-3-CLAUSE License
SIMUlation for Chemistry (Currently only available within University of Florida network)
Enzyme Kinetics
Quanformer is a Python-based pipeline for generating conformers, preparing quantum mechanical (QM...
Notebook tutorials for MolecularGraph.jl
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
How to do Bayesian statistical modelling using numpy and PyMC3
PDBeMolstar as anywidget