Structure Python Packages

causal-learn

Causal Discovery in Python. Learning causality from data.

dists-pytorch

IQA: Deep Image Structure and Texture Similarity Metric

structuregraph-helpers

Helpers for working with pymatgen structure graphs.

rmsd

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

chemdraw-mcp

Draw chemistry from chat: names or SMILES → publication-ready 2D structures, reaction schemes and curved-arrow mechanisms. PNG/SVG rendered offline with RDKit. MCP server for Claude Desktop (unofficial; CDXML export optional).

tcren

Predicting TCR:pMHC binding from structural data

finalcif

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

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.

somepackage

Show how to structure a Python project.

gcastle

Trustworthy AI related projects

dddesign

Domain Driven Design Library

gocept-logging

This package provides infrastructure for semi-structured log messages.

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.

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.

squarna

RNA secondary structure prediction tool

ypstruct

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

chemdraw

Draw molecules with plotly!

depthy

depth map computation

br4nch

br4nch - Data Structure Tree Builder for Python.

fasta2genotype

Convert STACKS fasta to many genotype formats

mycorrhiza

Combining phylogenetic networks and Random Forests for prediction of ancestry from multilocus genotype data

pystran

Python package for structural analysis with trusses and beams

pytrad

Causal Discovery in Python. Learning causality from data.

dashingturtle

An application for building structural landscapes of RNA sequence modifications with Nanopore data. 📘 Documentation: https://dashing-turtle.readthedocs.io/