Ai4science Python Packages

paddleocr

Turn any PDF or image document into structured data for your AI. A powerful, lightweight OCR toolkit that bridges the gap between images/PDFs and LLMs. Supports 100+ languages.

mattersim

MatterSim: A deep learning atomistic model across elements, temperatures and pressures.

mineru

Transforms complex documents like PDFs and Office docs into LLM-ready markdown/JSON for your Agentic workflows.

fhaviary

A language agent gym with challenging scientific tasks

terratorch

A Python toolkit for fine-tuning Geospatial Foundation Models (GFMs).

magic-pdf

Transforms complex documents like PDFs and Office docs into LLM-ready markdown/JSON for your Agentic workflows.

protenix

Toward High-Accuracy Open-Source Biomolecular Structure Prediction.

brainunit

Physical units and unit-aware mathematical system for general-purpose brain dynamics modeling.

saiunit

Unit-aware Computations for AI-driven Scientific Computing.

mineru-selfhosted-mcp

MCP bridge for a self-hosted MinerU API

evoscientist

🔬 Harness Vibe Research with Self-evolving AI Scientists

multimolecule

Accelerate Molecular Biology Research with Machine Learning

buctoolkit

Batch-upscaled Catalysis Toolkit

geom3d

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

crystalyse-ai

Intelligent Scientific Agent for Materials Design

clio-agent

A science agent supporting any general AI agent in performing data management operations at scale. Builds upon the heritage of the IOWarp platform and proudly represents work done at Gnosis Research Center at Illinois Tech. Supported by NSF.

aidsorb

Python package for deep learning on molecular point clouds.

clio-kit

Bringing AI practically to science!

fadoudou2

Awesome OCR toolkits based on PaddlePaddle(8.6M ultra-lightweight pre-trained model, support training and deployment among server, mobile, embedded and IoT devices)

pdf2struct

`pdf2struct` extracts structured JSON from PDF documents.

intellifold

IntelliFold: A Controllable Foundation Model for General and Specialized Biomolecular Structure Prediction.

iowarp-mcps

Bringing AI practically to science!

retnext

A lightweight package for deep learning on 3D energy images of porous materials

paddleocrwordleveldetection

Awesome OCR toolkits based on PaddlePaddle （8.6M ultra-lightweight pre-trained model, support training and deployment among server, mobile, embeded and IoT devices