The core of the SEAMM environment and graphical interface.
-
Updated
Nov 3, 2024 - Python
#
molssi
Here are 30 public repositories matching this topic...
MolSSI Container Hub for Computational Molecular Science
-
Updated
Sep 20, 2024 - Python
An open-source Python library for Zenodo REST API
-
Updated
Oct 15, 2024 - Python
A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4.
-
Updated
Oct 15, 2024 - Python
Tactic MMIC for molecular docking using AutoDock Vina
-
Updated
Jan 6, 2022 - Python
Molsystem provides a general class for handling molecular and periodic systems
-
Updated
Nov 13, 2024 - Python
Custom widgets to support the MolSSI Framework
-
Updated
Oct 10, 2024 - Python
A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.
-
Updated
Aug 22, 2024 - Python
A cookiecutter template for a plugin for SEAMM Flowcharts
-
Updated
Jan 17, 2023 - Python
A SEAMM plug-in for building periodic boxes of fluid using Packmol
-
Updated
Jul 25, 2024 - Python
Utility classes and functions that support other MolSSI tools
-
Updated
Aug 22, 2024 - Python
A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC.
-
Updated
Oct 15, 2024 - Python
A SEAMM plug-in which provides loops in flowcharts.
-
Updated
Nov 14, 2024 - Python
A plug-in for DFTB+ in a SEAMM flowchart
-
Updated
Oct 20, 2024 - Python
A SEAMM plug-in for building supercells of periodic systems.
-
Updated
Nov 5, 2023 - Python
A SEAMM plug-in for setting the periodic (unit) cell.
-
Updated
Aug 9, 2023 - Python
A step in the workflow for custom Python code
-
Updated
Dec 12, 2023 - Python
Web pages for SEAMM
-
Updated
May 22, 2024 - Makefile
Read and write forcefields, assigns them to molecules, and create energy expressions.
-
Updated
Jun 28, 2024 - Python
Improve this page
Add a description, image, and links to the molssi topic page so that developers can more easily learn about it.
Add this topic to your repo
To associate your repository with the molssi topic, visit your repo's landing page and select "manage topics."