Structure Python Packages

causal-learn

Causal Discovery in Python. Learning causality from data.

dists-pytorch

IQA: Deep Image Structure and Texture Similarity Metric

rmsd

Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format

structuregraph-helpers

Helpers for working with pymatgen structure graphs.

gcastle

Trustworthy AI related projects

tcren

Predicting TCR antigen recognition using statistical potentials

somepackage

Show how to structure a Python project.

pystran

Python package for structural analysis with trusses and beams

finalcif

A CIF file finalizer for small molecule crystallography with as much automation as possible.

squarna

RNA secondary structure prediction tool

dddesign

Domain Driven Design Library

ypstruct

A simple and easy-to-use MATLAB-like structure type for Python

chemdraw-mcp

MCP server for Claude: molecule names or SMILES → publication-style 2D structure drawings (PNG/SVG, offline via RDKit), reaction schemes, curved-arrow mechanisms and schematic spectra. Optional ChemDraw CDXML export — unofficial, not affiliated with Revvity.

wired-table-rec

整理目前开源的最优表格识别模型，完善前后处理，模型转换为ONNX | Organize the currently open-source optimal table recognition models, improve pre-processing and post-processing, and convert the models to ONNX.

depthy

depth map computation

lineless-table-rec

整理目前开源的最优表格识别模型，完善前后处理，模型转换为ONNX | Organize the currently open-source optimal table recognition models, improve pre-processing and post-processing, and convert the models to ONNX.

gocept-logging

This package provides infrastructure for semi-structured log messages.

table-cls

整理目前开源的最优表格识别模型，完善前后处理，模型转换为ONNX | Organize the currently open-source optimal table recognition models, improve pre-processing and post-processing, and convert the models to ONNX.

br4nch

br4nch - Data Structure Tree Builder for Python.

mycorrhiza

Mycorrhiza population assignment tools.

dashingturtle

An applicaton for building structural landscapes of RNA sequence modifications with Nanopore data.

contactextractor

Contact Extractor from PDB/mmCIF coordinate files

fastapi-creation

FastAPI Project Creator is a tiny CLI tool to instantly generate ready-to-start FastAPI project structures for various architectures like Modular, Clean, Layered, Hexagonal, and more. Perfect for rapid prototyping or starting large projects.

chemdraw

Draw molecules with plotly!