Ai For Science Python Packages

tooluniverse

Democratizing AI scientists with ToolUniverse

ml-peg

ML Performance and Extrapolation Guide

methods-mcp

Lightweight, on-demand MCP server for structured methods extraction and reproducibility heuristics on academic papers.

retrocast

a framework for ingesting, validating, canonicalizing, and adapting retrosynthesis model outputs to a unified benchmark standard.

curie-ai

❓Curie: Automated and Rigorous Scientific Experimentation with AI Agents

scholaraio

Scholar All-In-One: A research infrastructure for AI agents

hypothesaes

Hypothesizing interpretable relationships in text datasets using sparse autoencoders.

openmix

Open-source framework for computational mixture and formulation science

psrn

[𝐍𝐚𝐭𝐮𝐫𝐞 𝐂𝐨𝐦𝐩𝐮𝐭𝐚𝐭𝐢𝐨𝐧𝐚𝐥 𝐒𝐜𝐢𝐞𝐧𝐜𝐞] ⚡️ PSE/PSRN: Fast and efficient symbolic expression discovery through parallelized symbolic enumeration. Evaluates millions of expressions simultaneously on GPU with automated subtree reuse.

popper-agent

POPPER

ppcfd

PaddleCFD is a deep learning toolkit for surrogate modeling, equation discovery, shape optimization and flow-control strategy discovery in the field of fluid mechanics.