Topic: molssi Goto Github
Some thing interesting about molssi
Some thing interesting about molssi
molssi,A plug-in for control parameters, e.g. command line arguments, for SEAMM
Organization: molssi-seamm
molssi,A SEAMM plug-in for building crystals from prototypes.
Organization: molssi-seamm
molssi,A step in the workflow for custom Python code
Organization: molssi-seamm
molssi,A plug-in for DFTB+ in a SEAMM flowchart
Organization: molssi-seamm
molssi,A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations.
Organization: molssi-seamm
molssi,A SEAMM plug-in for creating structures from a SMILES string.
Organization: molssi-seamm
molssi,A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.
Organization: molssi-seamm
molssi,A SEAMM plug-in which provides loops in flowcharts.
Organization: molssi-seamm
molssi,Web pages for SEAMM
Organization: molssi-seamm
molssi,Molsystem provides a general class for handling molecular and periodic systems
Organization: molssi-seamm
molssi,A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC.
Organization: molssi-seamm
molssi,A SEAMM plug-in for building periodic boxes of fluid using Packmol
Organization: molssi-seamm
molssi,A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4.
Organization: molssi-seamm
molssi,A SEAMM plug-in to read and write common formats in computational chemistry
Organization: molssi-seamm
molssi,The core of the SEAMM environment and graphical interface.
Organization: molssi-seamm
Home Page: https://molssi-seamm.github.io
molssi,A cookiecutter template for a plugin for SEAMM Flowcharts
Organization: molssi-seamm
molssi,Read and write forcefields, assigns them to molecules, and create energy expressions.
Organization: molssi-seamm
molssi,The JobServer for the SEAMM environment.
Organization: molssi-seamm
molssi,Utility classes and functions that support other MolSSI tools
Organization: molssi-seamm
molssi,Custom widgets to support the MolSSI Framework
Organization: molssi-seamm
molssi,A SEAMM plug-in for setting the periodic (unit) cell.
Organization: molssi-seamm
molssi,
Organization: molssi-seamm
molssi,A SEAMM plug-in for building supercells of periodic systems.
Organization: molssi-seamm
molssi,A step for working with the molecular/crystal system in SEAMM
Organization: molssi-seamm
molssi,A SEAMM plug-in for data tables in a flowchart.
Organization: molssi-seamm
molssi,Tactic MMIC for molecular docking using AutoDock Vina
Organization: molssi
molssi,Tactic MMIC for force field parameter assignment with gmx
Organization: molssi
molssi,MolSSI Container Hub for Computational Molecular Science
Organization: molssi
Home Page: https://molssi.github.io/molssi-hub/
molssi,An open-source Python library for Zenodo REST API
Organization: molssi
Home Page: https://molssi.github.io/zenopy
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