zarrtraj MDAKit for @MDAnalysis

Set up your GitHub Actions workflow with conda via miniconda

Gromacs Topology Files for common Ionic Liquids

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

Supercharge your functional applications with nodes.

A lightweight CLI tool for versioning data alongside source code and building data pipelines.

OFFICIAL: AnteChamber PYthon Parser interfacE

Read and write H5MD files

High-throughput .cif analysis made easy. Visit: https://bobleesj.github.io/cifkit/

I document what I learn. Topics include Python best practices (styling, testing, automation), productivity, and my personal essays. Visit: bobleesj.github.io/blog

An interactive Python script that computes the minimum atomic bonding distances from sites, generating histograms and pair counts.

GitHub Action to build and push Docker images with Buildx

GitHub Action to extract metadata (tags, labels) from Git reference and GitHub events for Docker

Deep Modeling for Molecular Simulation 2024, four-day in-person workshop, June 25-28, 2024

WebGL Globe Data Visualization as a ThreeJS reusable 3D object

React component for Globe Data Visualization using ThreeJS/WebGL

UI component for Globe Data Visualization using ThreeJS/WebGL

The bidirectional mapping library for Python.

What the f*ck Python? 😱

Compute neighbor lists for atomistic systems

🖱 A resizable and draggable component for React.

A plotly.js React component from Plotly 📈

Markdown component for React

svg react icons of popular icon packs

🥉 useful helpers for react-three-fiber

🇨🇭 A React renderer for Three.js

Bootstrap components built with React

The library for web and native user interfaces.

A React TypeScript app which tracks skills used in various projects