Super Productivity is an advanced todo list app with integrated Timeboxing and time tracking capabilities. It also comes with integrations for Jira, GitLab, GitHub and Open Project.

This repo contains course materials for "AI for Chemical Engineers", an AI/ML literacy course that was designed to be accessible and appealing to all junior and senior ChemE undergraduate and gradu…

A modular and user-friendly Python framework for protein and ligand engineering workflows on SLURM clusters

Python toolkit for pre- and post-processing of FMO calculations

Publication-quality molecular graphics.

PyMolAI provides Agentic interface to PyMol workflows, built on top of Open Source version of PyMol.

Colab Notebooks covering deep learning tools for biomolecular structure prediction and design

Open-source registry and CLI for Claude Code components: agents, commands, skills, hooks, MCPs, settings and mods

A pomodoro timer that helps manage your daily focus

A theme for Obsidian.md that makes your vault look like Wikipedia!

Repository for molar crate and its dependencies

Rapid Generation of Rare Event Pathways Using Direction Guided Adaptive Sampling: From Ligand Unbinding to Protein (Un)Folding

Repository for Q and Q-FEP modules

A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS

A pedagogical repository providing examples to support the learning of the Julia programming language and the activities of the Special Interest Group community at the University of Birmingham. Th…

Central repository for biomolecular foundation models with shared trainers and pipeline components

Cookiecutter for setting up python projects with pixi that just work

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

molfeat - the hub for all your molecular featurizers

An in-browser, local-first Markdown resume builder.

📚 Freely available programming books

Slides + Iframe = sliFrame

Let LLM run your MDs.

Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2

PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.

Python-centric Cookiecutter for Molecular Computational Chemistry Packages