molshape / ChemFormulaLinks
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).
☆30Updated 3 weeks ago
Alternatives and similar repositories for ChemFormula
Users that are interested in ChemFormula are comparing it to the libraries listed below
Sorting:
- A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.☆263Updated 3 weeks ago
- A Python library for solution chemistry☆70Updated 3 weeks ago
- A Python package for chemical engineering☆185Updated last year
- Scientific Computing for Chemists with Python is a free book for teaching basic coding skills to chemists using Python, Jupyter notebooks…☆284Updated last month
- A Python library for NMR simulation☆25Updated last year
- A curated list of online chemical engineering education resources☆163Updated 6 months ago
- ☆100Updated 5 months ago
- chemicals: Chemical database of Chemical Engineering Design Library (ChEDL)☆248Updated 2 months ago
- The database of chemical parameters used with Reaction Mechanism Generator☆116Updated last week
- Interactive Python Notebooks for Physical Chemistry☆31Updated 2 years ago
- Teaching Utility for Classical Atomistic Simulation.☆30Updated last year
- This repository contains a practical course designed for chemical engineers that want to learn how to solve exercises and program in Pyth…☆71Updated 5 months ago
- Extensible periodic table for python☆162Updated 6 months ago
- Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms☆54Updated last year
- ☆44Updated 5 months ago
- python simulation interface for molecular modeling☆98Updated 3 years ago
- The IUPAC WorldFAIR Cookbook for FAIR chemical data☆25Updated 4 months ago
- SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python☆152Updated this week
- BioSTEAM's Premier Thermodynamic Engine☆70Updated last week
- A series of jupyter notebooks to help chemistry students learn python for analytical chemistry☆49Updated 4 years ago
- Python GUI program for a quick estimation of physicochemical properties of molecules.☆44Updated 7 years ago
- ☆14Updated last month
- A framework for processing adsorption data and isotherm fitting☆77Updated 7 months ago
- An open-source, online textbook introducing Python programming to chemistry students☆26Updated 4 years ago
- LVPP sigma-profile database + COSMO-SAC parametrizations☆66Updated this week
- This is a simple script to plot energy profile diagrams using Python and matplotlib.☆174Updated 2 months ago
- Introduction to Chemical Engineering Analysis☆184Updated 6 years ago
- A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …☆270Updated this week
- Modeling in Chemical Technology: Numerical Calculations with Python☆35Updated 3 years ago
- Implementation of the UNIFAC model☆10Updated 5 years ago