mosdef-hub / foyerLinks
A package for atom-typing as well as applying and disseminating forcefields
☆128Updated last week
Alternatives and similar repositories for foyer
Users that are interested in foyer are comparing it to the libraries listed below
Sorting:
- Conversion tool for molecular simulations☆199Updated 11 months ago
- Molecular structure optimizer☆118Updated 2 years ago
- A hierarchical, component based molecule builder☆192Updated last week
- Software Suite for Advanced General Ensemble Simulations☆87Updated 2 years ago
- An open source Python framework for transition interface and path sampling calculations.☆110Updated 3 weeks ago
- a python package for the interfacial analysis of molecular simulations☆87Updated last week
- Geometry optimization code that includes the TRIC coordinate system☆180Updated 4 months ago
- Gromacs to Lammps simulation converter☆79Updated last year
- ASH is a Python-based computational chemistry and QM/MM environment, primarily for molecular calculations in the gas phase, explicit sol…☆72Updated this week
- Collective variables library for molecular simulation and analysis programs☆223Updated this week
- Tool to build force field input files for molecular simulation☆169Updated 3 months ago
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆75Updated last week
- Force field for ionic liquids☆64Updated last week
- Molecular Orbital PACkage☆147Updated last week
- Tinker: Software Tools for Molecular Design☆140Updated 2 weeks ago
- Flexible storage of chemical topology for molecular simulation☆59Updated this week
- Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)☆61Updated 9 months ago
- Systematic force field optimization.☆151Updated 6 months ago
- Light-weight tight-binding framework