🧪 A comprehensive chemistry library for Python.
Computational Methods in Chemical Engineering (UMass Lowell, Spring 2024); Prof. Valmor F. de Almeida.
This repository contains a practical course designed for chemical engineers that want to learn how to solve exercises and program in Python. The course will cover various topics, such as basic Python syntax, data structures, solving ODEs, stoichiometry, data visualization and basic data analysis.
Chemical formulae parser/tokenizer written in TypeScript.
Raku package for Stoichiometry procedures and related data. Chemical elements data, chemical equations balancing. Multi-language support.
Analyze FRET Binding Data with R
This project can calculate limiting and excess reactants, and theoretical outputs, given a balanced chemical equation.
[Work-in-Progress] A simple python package for general chemistry calculations and modelling
Chemistry tools in a command line interface.
This is code to support the computation of stoichiometric equations for the Thermodynamic Electon Equivalents Model (TEEM) developed by Rittman and McCarty.
Command-line program to perform simple stoichiometric computations
A terminal application for analyzing reactions and chemical formulas.
CH3mculator is a windows desktop application for stoichiometric calculations.
An object-oriented cheminformatics library.
Predicting Selective RNA Processing and Stabilization Operons in Clostridium spp. (Stoichiometry prediction in the form of ratio) https://doi.org/10.3389/fmicb.2021.673349
This repository contains python code used to create figures in the accompanying manuscript.
Chemistry + Python
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