lang-python

This project provides sample JSON data for graph and chart visualization, organized by difficulty level: beginner, intermediate, and advanced. The datasets are designed for use in data visualization tools, libraries, and educational settings, supporting users from basic to complex scenarios.

This project provides Python scripts for visualizing temperature and earthquake data using matplotlib, pandas, and numpy. It includes tools for data conversion, plotting, and basic testing, aimed at scientific analysis and educational use.

Open Drug Discovery Toolkit

AlphaFold 3 inference pipeline.

Chai-1, SOTA model for biomolecular structure prediction

scikit-bio: a community-driven Python library for bioinformatics, providing versatile data structures, algorithms and educational resources.

Python wrapper for the PubChem PUG REST API.

Working with molecular structures in pandas DataFrames

Detect and characterize binding pockets from molecular simulations.

Robust, open-source pipeline to detect actionable mental states from EEG (consumer and research-grade). Train SOTA models (EEGNet, Shallow/Deep ConvNets, lightweight Transformers), leverage self-supervised pretraining, and run real-time

Parameter/topology editor and molecular simulator

A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

Jupyter widget to interactively view molecular structures and trajectories

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

Detect fraudulent job emails targeting US security clearance holders and job seekers.

MD pharmacophores and virtual screening

Parsers and algorithms for computational chemistry logfiles

Code for running RFdiffusion

A tool for retrosynthetic planning