Example code showing most features of modern Fortran

Course material for the COMPUTE course - Scientific Program in Python and Fortran

Programming in Science and Technology Book

Scientific Computing for Chemists with Python is a free book for teaching basic coding skills to chemists using Python, Jupyter notebooks, and the other Python software. This textbook teaches a var…

A collections of algorithms used for the automatic fitting of DC and AC voltammetry

Python Cyclic Voltammetry Simulator based on MECSim

Gaussian Processes for Cyclic Voltammetry

Python Library for Automating Molecular Simulations

Lecture Notes for Linear Algebra Featuring Python. This series of lecture notes will walk you through all the must-know concepts that set the foundation of data science or advanced quantitative ski…

Data analysis of peak and valley regions

NumPy tutorials & educational content in notebook format

Linear MALDI-ToF simultaneous spectrum deconvolution and baseline removal

A PowerPoint add-in to insert LaTeX equations into PowerPoint presentations on Windows and Mac

Linked Chemical Information. LinChemIn is a Python toolkit that leverages the native connectivity of Chemical Reaction Data and provides actionable insights. The toolkit provides a program interfac…