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The core of the SEAMM environment and graphical interface.
Strategy MMIC for molecular docking
Tactic MMIC for molecular docking using AutoDock Vina
MolSSI Container Hub for Computational Molecular Science
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.
A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.
Custom widgets to support the MolSSI Framework
A plug-in for DFTB+ in a SEAMM flowchart
A SEAMM plug-in which provides loops in flowcharts.
A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC.
A SEAMM plug-in for building periodic boxes of fluid using Packmol
A cookiecutter template for a plugin for SEAMM Flowcharts
Utility classes and functions that support other MolSSI tools
A plug-in for control parameters, e.g. command line arguments, for SEAMM
A SEAMM plug-in for building crystals from prototypes.
A step in the workflow for custom Python code
A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations.
A SEAMM plug-in for creating structures from a SMILES string.
Web pages for SEAMM
A SEAMM plug-in to read and write common formats in computational chemistry
Read and write forcefields, assigns them to molecules, and create energy expressions.
The JobServer for the SEAMM environment.
A SEAMM plug-in for setting the periodic (unit) cell.
A SEAMM plug-in for building supercells of periodic systems.
A step for working with the molecular/crystal system in SEAMM
A SEAMM plug-in for data tables in a flowchart.
Tactic MMIC for force field parameter assignment with gmx