A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations.
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Updated
Jun 30, 2024 - Python
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
A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.
Read and write forcefields, assigns them to molecules, and create energy expressions.
Utility classes and functions that support other MolSSI tools
The core of the SEAMM environment and graphical interface.
Molsystem provides a general class for handling molecular and periodic systems
A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4.
Web pages for SEAMM
A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC.
MolSSI Container Hub for Computational Molecular Science
Custom widgets to support the MolSSI Framework
A plug-in for DFTB+ in a SEAMM flowchart
The JobServer for the SEAMM environment.
A step in the workflow for custom Python code
A SEAMM plug-in to read and write common formats in computational chemistry
A plug-in for control parameters, e.g. command line arguments, for SEAMM
A SEAMM plug-in for data tables in a flowchart.
A SEAMM plug-in for creating structures from a SMILES string.
A SEAMM plug-in which provides loops in flowcharts.
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