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A sequence of Jupyter notebooks featuring the "12 Steps to Navier-Stokes" http://lorenabarba.com/

Code for "Machine Learning for Physicists" lecture series by Florian Marquardt

A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD

The fastai book, published as Jupyter Notebooks

A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.

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…

sbi is a Python package for simulation-based inference, designed to meet the needs of both researchers and practitioners. Whether you need fine-grained control or an easy-to-use interface, sbi has …

A comprehensive tool for analyzing liquid solvation structure.

VMD Tcl language scripts of molecular dynamics modeling, analyzing, and visualization.

Examples for the usage of "pybind11"

fccf: A command-line tool that quickly searches through C/C++ source code in a directory based on a search string and prints relevant code snippets that match the query.

C++ Tip Of The Week

CUDA Templates and Python DSLs for High-Performance Linear Algebra

analysis package for molecular dynamics simulations using numpy arrays

A toolkit with data-driven pipelines for physics-informed machine learning.

A collection of Beamer themes from the community

My themes for Beamer.

VAMPNet application in deep learning analysis of binding peptides to condensates.

Scripts and notebooks used to analyse experiments and simulations of LLPS in confined volumes

aka "Bayesian Methods for Hackers": An introduction to Bayesian methods + probabilistic programming with a computation/understanding-first, mathematics-second point of view. All in pure Python ;)

Best Practices for Computing Interfacial Properties from Molecular Dynamics Simulations

Python scripts for dealing with molecular dynamics script for LAMMPS