Science Python Packages

sympy

A computer algebra system written in pure Python

pint

Operate and manipulate physical quantities in Python

astropy

Astronomy and astrophysics core library

pyerfa

Python bindings for ERFA routines

modelscope

ModelScope: bring the notion of Model-as-a-Service to life.

ruptures

ruptures: change point detection in Python

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.

symengine

Python wrappers for SymEngine

mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics simulations.

cwltool

Common Workflow Language reference implementation

pymatgen-core

Pymatgen Core Modules

obspy

ObsPy: A Python Toolbox for seismology/seismological observatories.

matplotlib-scalebar

Provides a new artist for matplotlib to display a scale bar, aka micron bar.

scipp

Multi-dimensional data arrays with labeled dimensions

tskit

Population-scale Ancestral Recombination Graph (ARG) library

pytoshop

Library for reading and writing Photoshop PSD and PSB files

freud-analysis

Powerful, efficient particle trajectory analysis in scientific Python.

rucio-clients

Rucio - Scientific Data Management

gstools

GSTools - A geostatistical toolbox: random fields, variogram estimation, covariance models, kriging and much more

silx

silx toolkit

alchemlyb

the simple alchemistry library

fabio

I/O library for images produced by 2D X-ray detector

paper-qa

High accuracy RAG for answering questions from scientific documents with citations

opentrons

Software for writing protocols and running them on the Opentrons Flex and Opentrons OT-2