Electrostatic field line and equipotential contour diagrams

Python code to parse gaussian log and fchk files in order to determine leading contributions to water stretch-bend intensities

Interactive daisyworld in python

Demonstration of GeoPandas for doing GIS in Python, using UK earthquake catalogue as an example.

Tutorial on geospatial data manipulation with Python

Labs for the Foundations of Applied Mathematics curriculum.

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

Popular design patterns implemented in Fortran.

Mask R-CNN for object detection and instance segmentation on Keras and TensorFlow

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

A parallel shallow water equations solver

Source code for 'Numerical Python Second Edition' by Robert Johansson

parallel einsum products of 2 tensors

Efficiently computes derivatives of NumPy code.

Repo for the book Problem Solving with Python 3.7 Edition by Peter D. Kazarinoff, PhD. The newest edition of Problem Solving with Python book.

HORTON: Helpful Open-source Research TOol for N-fermion systems

Source code for my collection of articles on using pandas.

Practice your pandas skills!

Evaluate and transform D matrices, 3-j symbols, and (scalar or spin-weighted) spherical harmonics

An interactive Quiz generator for Jupyter notebooks and Jupyter Book

Data on CO2 and greenhouse gas emissions by Our World in Data

A platform for creating interactive data visualizations

Tinker-HP: High-Performance Massively Parallel Evolution of Tinker on CPUs & GPUs

Tutorial on how to make a choropleth map using Geopandas and Matplotlib in Python.

Matplotlib is an amazing visualization library in Python for 2D plots of arrays. Matplotlib is a multi-platform data visualization library built on NumPy arrays and designed to work with the broade…

Pandas is a high-level data manipulation tool developed by Wes McKinney. It is built on the Numpy package and its key data structure is called the DataFrame. DataFrames allow you to store and manip…