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seamm

Username    seamm
Date joined   Joined

30 projects

read-structure-step

Last released

A SEAMM plug-in to read common formats in computational chemistry

molsystem

Last released

molsystem

crystal-builder-step

Last released

A SEAMM plug-in for creating crystals from prototypes, including Strukturbericht designations.

seamm-installer

Last released

The installer/updater for SEAMM (Simulation Environment for Atomistic and Molecular Simulations).

seamm-widgets

Last released

seamm_widgets

seamm

Last released

The core of the SEAMM environment and graphical interface.

dftbplus-step

Last released

A SEAMM plug-in for DFTB+, a fast quantum mechanical simulation code.

seamm-util

Last released

seamm_util

seamm-datastore

Last released

seamm_datastore

seamm-jobserver

Last released

seamm_jobserver

control-parameters-step

Last released

A SEAMM plug-in for defining command-line parameters for a flowchart.

packmol-step

Last released

A SEAMM plug-in for building periodic boxes of fluid using Packmol

lammps-step

Last released

A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.

forcefield-step

Last released

A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations.

seamm-ff-util

Last released

seamm_ff_util

mopac-step

Last released

A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC

seamm-dashboard

Last released

The Web Dashboard for SEAMM (Simulation Environment for Atomistic and Molecular Simulations).

loop-step

Last released

A SEAMM plug-in which provides loops in flowcharts.

rdkit-step

Last released

A SEAMM plugin for A SEAMM plug-in for RDKit

table-step

Last released

A SEAMM plug-in for data tables in a flowchart.

custom-step

Last released

A SEAMM plug-in for custom Python scripts in a flowchart.

supercell-step

Last released

A SEAMM plug-in for building supercells of periodic systems.

set-cell-step

Last released

A SEAMM plug-in for setting the periodic (unit) cell.

psi4-step

Last released

A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4

from-smiles-step

Last released

A SEAMM plug-in for creating structures from a SMILES string.

chemical-formula

Last released

chemical_formula

seamm-cookiecutter

Last released

Cookiecutter for SEAMM plug-ins, substeps and forcefields

reference-handler

Last released

solvate-step

Last released

solvate_step

cassandra-step

Last released

Cassandra is a Monte Carlo molecular simulation package.

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