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Starred repositories
Easy-to-use map visualization for AWS activity, inspired by Little Snitch for macOS.
Dimorphite-DL adds hydrogen atoms to molecular representations, as appropriate for a user-specified pH range. It is a fast, accurate, accessible, and modular open-source program for enumerating sma…
Fair-code workflow automation platform with native AI capabilities. Combine visual building with custom code, self-host or cloud, 400+ integrations.
⬛️ CLI tool and library for saving complete web pages as a single HTML file
Hatch plugin for versioning with your preferred VCS
Dynamic versioning based on VCS tags for uv/hatch project
This package contains tools for setting up hybrid-topology FE calculations
The public versio
An LLM-powered knowledge curation system that researches a topic and generates a full-length report with citations.
Draft and experimental work to port uBO Lite to Safari
Lightweight fast function pipeline (DAG) creation in pure Python for scientific workflows 🕸️🧪
SDK & API Docs Generator. Sunset as of December 2024
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Examples for use with the new `pixi build`
📦 Pack and unpack conda environments created with pixi
Source code for Smart Distributed Data Factory ML models (see preprint. https://www.biorxiv.org/content/10.1101/2024.10.22.619651v2)
Model Context Protocol Servers