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Starred repositories
🌍🌏🌎 A succinct toolset for analyzing climate data. This project is a work-in-progress.
A task runner / simpler Make alternative written in Go
CheMeleon Kinetic Solubility Prediction
Declarative Typst in Python with Pandas data frame support.
Molecular Descriptors with Actively Identified Subsets
Useful extensions to the standard Python datetime features
Python wrapper for the IBM RXN for Chemistry API
A curated list of Cheminformatics libraries and software.
Transforms complex documents like PDFs into LLM-ready markdown/JSON for your Agentic workflows.
SearXNG is a free internet metasearch engine which aggregates results from various search services and databases. Users are neither tracked nor profiled.
Plumb a PDF for detailed information about each char, rectangle, line, et cetera — and easily extract text and tables.
Video-based AI memory library. Store millions of text chunks in MP4 files with lightning-fast semantic search. No database needed.
A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
Data science interview questions and answers
🦄 Scientific journal and sci-fi themed color palettes for plotnine
Automated Adaptive Absolute alchemical Free Energy calculator
The official repo for “Dolphin: Document Image Parsing via Heterogeneous Anchor Prompting”, ACL, 2025.
The best way to get AI coding agents to solve hard problems in complex codebases.
Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organic molecules.
Model explainability that works seamlessly with 🤗 transformers. Explain your transformers model in just 2 lines of code.
D2 is a modern diagram scripting language that turns text to diagrams.
VS Code extension of JSON Crack. Convert your JSON files into graphs with a single click and view them onto graphs.