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

Package for consistent reporting of relative free energy results

This package contains tools for setting up hybrid-topology FE calculations

core data models of the Open Free Energy ecosystem

Hunt down social media accounts by username across social networks

Typer, build great CLIs. Easy to code. Based on Python type hints.

Decodes iPhone manifest and backup created by idevicebackup2

The official repository for tariff

Toolkit for manipulation and inspection of Sphinx objects.inv files

Python scripts and module to optimize lambda values in alchemical free energy calculations

Rich is a Python library for rich text and beautiful formatting in the terminal.

Sampling profiler for Python programs

A friend to fetch your data files

the most goated babel plugin

🐟 Python profile viewer

Pulls the URLs from all the items in any of the bundles bought on Itch.io

GitHub Action to set up micromamba

Seamlessly integrate pydantic models in your Sphinx documentation.

Python pathlib-style classes for cloud storage services such as Amazon S3, Azure Blob Storage, and Google Cloud Storage.

High accuracy RAG for answering questions from scientific documents with citations

Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium

Versioning It with your Version In Git

Static checker for GitHub Actions workflow files

Flake8 plug-in loading the configuration from pyproject.toml

Explainer for black box models that predict molecule properties

Deep learning for molecules and materials book

Generate markdown report for pytest tests in GitHub actions

Don't waste your time with compliance. FastForward automatically skips annoying link shorteners.

libfaketime modifies the system time for a single application