Pure python package for electrolyte equilibrium calculation

ChemFormula is a Python class for working with chemical formulas. It allows parsing chemical formulas, calculating formula weights for stoichiometric calculations, and generating formatted output strings (e.g. HTML).

Modeling and Simulation of Multicomponent Distillation Columns

Shape-based alignment of molecules using 3D point-based representation

This is a search engine called Chemisearch, where you can search for chemical companies that sell these products. Built with HTML and SASS.

Simple Chemical Reaction Calculator

Chemical Structure Generator

Python class to manage, check, and sort CAS Registry Numbers.

This is a project that scrapes PubChem data for GHS hazard codes given CAS numbers

Tools for analysis of nuclear magnetic resonance (NMR) spectra using the Wasserstein metric.

Code to convert Kansas's injection well data to a different format

Chemical Engineering Kernel provides full computational approach of thermodynamic and physical Property Packages of 400 widely used industrial chemicals

Collect adsorption isotherm data from the NIST/ARPA-E Database

Beryllium10: a free and simple tool for creating and managing group safety data sheets

Now incorporated into openFF-build. Short code to translate set of text files from SciFinder to tables of CAS# and their names. Includes a synonym list.

a program for making buffers and media

Android App - A significant figures calculator for complex numbers and molar mass calculator for simple chemicals.

Chemical Database Manager

Code for Open-FF constructor scripts; A project to transform the industry's FracFocus disclosure data into a usable resource.