Custom widgets to support the MolSSI Framework
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Updated
May 1, 2024 - Python
Custom widgets to support the MolSSI Framework
Utility classes and functions that support other MolSSI tools
Web pages for SEAMM
A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC.
Tactic MMIC for molecular docking using AutoDock Vina
A plug-in for DFTB+ in a SEAMM flowchart
MolSSI Container Hub for Computational Molecular Science
Molsystem provides a general class for handling molecular and periodic systems
A SEAMM plug-in to read and write common formats in computational chemistry
The JobServer for the SEAMM environment.
The core of the SEAMM environment and graphical interface.
A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations.
A SEAMM plug-in for building periodic boxes of fluid using Packmol
Read and write forcefields, assigns them to molecules, and create energy expressions.
A SEAMM plug-in for building crystals from prototypes.
A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4.
An open-source Python library for Zenodo REST API
A plug-in for control parameters, e.g. command line arguments, for SEAMM
A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.
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