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).
☆28Updated last month
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 2 months ago
- The IUPAC WorldFAIR Cookbook for FAIR chemical data☆24Updated 3 months ago
- The database of chemical parameters used with Reaction Mechanism Generator☆114Updated last week
- ☆44Updated 3 months ago
- A Python library for solution chemistry☆69Updated last week
- ☆98Updated 3 months ago
- Functions implementing the PC-SAFT equation of state, including association, electrolyte and dipole terms☆54Updated last year
- A curated list of online chemical engineering education resources☆160Updated 5 months ago
- Chemical equilibrium for electrolytes system in pure python.☆26Updated 3 years ago
- A Python library for NMR simulation☆25Updated last year
- SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python☆149Updated this week
- Python API for NIST Chemistry WebBook☆42Updated last month
- Scientific Computing for Chemists with Python is a free book for teaching basic coding skills to chemists using Python, Jupyter notebooks…☆280Updated this week
- This repository contains a practical course designed for chemical engineers that want to learn how to solve exercises and program in Pyth…☆68Updated 4 months ago
- LVPP sigma-profile database + COSMO-SAC parametrizations☆64Updated 2 months ago
- Python GUI program for a quick estimation of physicochemical properties of molecules.☆44Updated 6 years ago
- The Pitzer model for chemical activities and equilibria in aqueous solutions in Python☆17Updated 7 months ago
- ☆14Updated last week
- chemicals: Chemical database of Chemical Engineering Design Library (ChEDL)☆245Updated last month
- A Python package for chemical engineering☆184Updated last year
- A Benchmark Implementation of COSMO-SAC☆67Updated 2 months ago
- Python version of the amazing Reaction Mechanism Generator (RMG).☆469Updated last week
- A set of Python utilities for reading JCAMP-DX files.☆54Updated 7 months ago
- Extensible periodic table for python☆162Updated 5 months ago
- A curated list of awesome Molecular Dynamics libraries, tools and software.☆116Updated 4 years ago
- Open-source implementation of PC-SAFT equation of state☆12Updated 2 years ago
- A Python library designed to swiftly and effortlessly obtain the UNIFAC-like groups from molecules by their names and subsequently integr…☆22Updated last month
- BioSTEAM's Premier Thermodynamic Engine☆70Updated last week
- Implementation of the UNIFAC model☆10Updated 4 years ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆46Updated last week