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MLX-VLM is a package for inference and fine-tuning of Vision Language Models (VLMs) on your Mac using MLX.

Python 2,104 252 Updated Feb 4, 2026

A simple and reproducible way of using fonts in matplotlib

Python 78 4 Updated Jan 26, 2026
Python 52 9 Updated Sep 19, 2025
Python 4 1 Updated Apr 28, 2025

Simple Python package to calculate ROC AUC with confidence intervals using DeLong’s method

Jupyter Notebook 18 2 Updated Jan 4, 2026

Fast Open-Source Search & Clustering engine × for Vectors & Arbitrary Objects × in C++, C, Python, JavaScript, Rust, Java, Objective-C, Swift, C#, GoLang, and Wolfram 🔍

C++ 3,755 277 Updated Jan 27, 2026

Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes

Python 162 21 Updated Feb 1, 2026

Better Data Splits for Machine Learning

Python 98 5 Updated Sep 30, 2025

add statistical significance annotations on seaborn plots. Further development of statannot, with bugfixes, new features, and a different API.

Python 826 79 Updated Jan 8, 2026

Algorithms for various Network Layouts and Tooling for planning FE Calculations

Jupyter Notebook 20 5 Updated Feb 3, 2026

ChEMBL database structure pipelines

Python 229 41 Updated Nov 24, 2025

Python version of 📦 repopack (https://github.com/yamadashy/repopack) by yamadashy (https://github.com/yamadashy)

Python 121 11 Updated Sep 24, 2024

Repository for the 2024 OpenFE industry benchmark efforts

Jupyter Notebook 30 22 Updated Oct 3, 2025

Repository for Q and Q-FEP modules

Jupyter Notebook 16 1 Updated Feb 4, 2026

Materials and assets for the 2024 OMSF workshop

5 Updated May 16, 2024

Python package that wraps around the ClinicalTrials.gov API

Python 59 19 Updated May 1, 2024

Molecular bloom filter tool

Python 128 14 Updated Aug 19, 2025

The molstar plugin for plotly dash framework

Python 31 3 Updated Jan 12, 2026

A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.

Jupyter Notebook 85 16 Updated Oct 23, 2025

Molecular Out-Of-Distribution

Jupyter Notebook 39 3 Updated Apr 16, 2025

An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)

Python 46 4 Updated Jan 17, 2024

Starter template for LazyVim

Lua 1,756 1,403 Updated Dec 11, 2024

A script to run structural alerts using the RDKit and ChEMBL

Python 155 42 Updated Aug 1, 2023

A library to generate LaTeX expression from Python code.

Python 7,592 392 Updated Feb 13, 2025

An opinionated list of awesome Python frameworks, libraries, software and resources.

Python 281,476 27,177 Updated Feb 2, 2026

An open access book on scientific visualization using python and matplotlib

Python 11,168 1,016 Updated Jan 4, 2026

add statistical annotations (pvalue significance) on an existing boxplot generated by seaborn boxplot

Jupyter Notebook 406 74 Updated Jun 2, 2022

Example code for Fluent Python, 2nd edition (O'Reilly 2022)

Python 3,938 1,141 Updated Oct 28, 2025
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