bjodah / chempyLinks
⚗ A package useful for chemistry written in Python
☆611Updated last month
Alternatives and similar repositories for chempy
Users that are interested in chempy are comparing it to the libraries listed below
Sorting:
- Python version of the amazing Reaction Mechanism Generator (RMG).☆483Updated last week
- A curated list of Python packages related to chemistry☆1,306Updated last month
- A python package for accessing various properties of elements, ions and isotopes in the periodic table of elements.☆263Updated last month
- The chemistry library you were waiting for☆217Updated 2 years ago
- Powerful, efficient particle trajectory analysis in scientific Python.☆304Updated this week
- pyiron - an integrated development environment (IDE) for computational materials science.☆423Updated 2 weeks ago
- A Python package for chemical engineering☆186Updated last year
- A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation …☆275Updated 3 weeks ago
- Parsers and algorithms for computational chemistry logfiles☆379Updated last week
- Scientific Computing for Chemists with Python is a free book for teaching basic coding skills to chemists using Python, Jupyter notebooks…☆288Updated 3 weeks ago
- Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python☆1,100Updated last month
- Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)☆705Updated last week
- NWChem: Open Source High-Performance Computational Chemistry☆572Updated last week
- CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.☆352Updated this week
- Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modelin…☆571Updated this week
- Files used in TMP Chem videos on computational chemistry☆234Updated 5 years ago
- Python wrapper for the PubChem PUG REST API.☆462Updated last month
- A hierarchical, component based molecule builder☆201Updated this week
- Curated list of known efforts in materials informatics, i.e. in modern materials science☆470Updated 2 months ago
- SpectroChemPy is a framework for processing, analyzing and modeling spectroscopic data for chemistry with Python☆153Updated last week
- DFTB+ general package for performing fast atomistic simulations☆396Updated 2 weeks ago
- A curated list of awesome Molecular Dynamics libraries, tools and software.☆119Updated 4 years ago
- Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edit…☆329Updated last week
- Computational Crystallography Toolbox☆265Updated this week
- ChemFormula is a Python class for working with chemical formulas. It allows parsing chemical formulas, calculating formula weights for st…☆29Updated last month
- Molecular dynamics and Monte Carlo soft matter simulation on GPUs.☆398Updated this week
- Combining Psi4 and Numpy for education and development.☆380Updated last year
- Python module for quantum chemistry☆1,465Updated last week
- Extensible periodic table for python☆162Updated 6 months ago
- An open library for the analysis of molecular dynamics trajectories☆673Updated this week