PyCAOS / CAOSLinks
Main repository for the CAOS language.
☆16Updated 9 years ago
Alternatives and similar repositories for CAOS
Users that are interested in CAOS are comparing it to the libraries listed below
Sorting:
- Files used in TMP Chem videos on computational chemistry☆235Updated 5 years ago
- A package for atom-typing as well as applying and disseminating forcefields☆135Updated last week
- Systematic force field optimization.☆154Updated 11 months ago
- automated reaction profile generation☆192Updated last month
- A python module for manipulating cartesian and internal coordinates.☆85Updated last month
- Python Library for Automating Molecular Simulations☆86Updated last week
- ☆61Updated 4 months ago
- Molecular structure optimizer☆127Updated 2 years ago
- 🎉 Simple restricted Hartree-Fock code in Python☆37Updated 6 years ago
- Flexible storage of chemical topology for molecular simulation☆65Updated this week
- Tinker: Software Tools for Molecular Design☆153Updated last week
- An example of how to write a plugin for OpenMM☆31Updated last year
- A hierarchical, component based molecule builder☆201Updated this week
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated 2 years ago
- A Schema for Quantum Chemistry☆101Updated 3 years ago
- Quantum Mechanical Bespoke Force Field Derivation Toolkit☆103Updated last year
- An open source Python framework for transition interface and path sampling calculations.☆114Updated 5 months ago
- eChem: Jupyter book on theoretical chemistry☆110Updated last month
- Library for reading and writing chemistry files☆186Updated last month
- Python library for reading, writing, and converting computational chemistry file formats and generating input files.☆137Updated 2 weeks ago
- ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit sol…☆94Updated last week
- Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections☆152Updated last week
- MolMod is a collection of molecular modelling tools for python.☆60Updated last year
- The chemistry library you were waiting for☆219Updated 2 years ago
- Force fields produced by the Open Force Field Initiative☆168Updated last week
- Installable VMD as a python module☆146Updated 5 months ago
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆80Updated last week
- the simple alchemistry library☆224Updated last month
- Periodic table, physical constants, and molecule parsing for quantum chemistry.☆176Updated last month
- Collection of 'compound scripts' for use with the ORCA quantum chemistry software☆93Updated 3 weeks ago