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.

dashingturtle

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

chemdraw

Draw molecules with plotly!

kimaridraw

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

propylean

The pandas and pyspark series wrapper for chemical process industries.

petpropy

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