Python utility functions for the analysis of diffusion in molecular dynamics simulation trajectories.

An interactive tool for supporting the lifecycle of a computational molecular chemistry investigation

Productive, portable, and performant GPU programming in Python.

Toolbox for molecular animations in Blender, powered by Geometry Nodes.

Publish Xarray Datasets via a REST API.

Luigi is a Python module that helps you build complex pipelines of batch jobs. It handles dependency resolution, workflow management, visualization etc. It also comes with Hadoop support built in.

An example Dash app with dash_vtk for viewing unstructured mesh data.

Integrating Paperpile with Notion Databases 🔄

Modeling toolkit for biochemical simulation

📚 Import Bibtex publications and Jupyter Notebook blog posts into your Markdown website or book. 将Bibtex转换为Markdown网站

👥 轻松创建研究组或组织网站 Easily create a stunning Research Group, Team, or Business Website with no-code

🎓 无需编写任何代码即可轻松创建漂亮的学术网站 Easily create a beautiful academic résumé or educational website using Hugo and GitHub. No code.

A fast, clean, responsive Hugo theme.

Source code and assets of pascalmichaillat.org

web-based protein structure viewer and analysis tool interactively or in batch mode

Open-source foundation of the user-sponsored PyMOL molecular visualization system.

A new kind of Progress Bar, with real-time throughput, ETA, and very cool animations!

Gillespie Stochastic Simulation Algorithm

Types with default field values, keyword constructors and (un-)pack macros

Performant arrays where each dimension can have a named axis with values

Julia type that implements a drop-in replacement of Array with named dimensions

Named dimensions and indexing for julia arrays and other data

For working with dimensions of arrays by name

Efficient implementation of struct arrays in Julia

A Julia front-end to Python's Pandas package.

Learn Julia via interactive tutorials!

Julia installer and version multiplexer

Trixi.jl: Adaptive high-order numerical simulations of conservation laws in Julia

Solvers for stochastic differential equations which connect with the scientific machine learning (SciML) ecosystem

Documentation for the DiffEq differential equations and scientific machine learning (SciML) ecosystem