Chemical Python Packages

thermosteam

BioSTEAM's Premier Thermodynamic Engine

icn3dpy

web-based protein structure viewer and analysis tool interactively or in batch mode

chemcoord

A python module for manipulating cartesian and internal coordinates.

ugropy

A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integrate them into inputs for thermodynamic libraries. UNIFAC, PSRK, Joback, and Abdulelah-Gani models are implemented.

chemdraw

Draw molecules with plotly!

kimaridraw

A Python script that processes Multiwfn spectral data and plots various spectra.

dashingturtle

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

propylean

Python library to analyze chemical and related process plants.

petpropy

Calculator package of physical properties of Gas, Oil, and Water in Python.