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seamm

Username    seamm
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42 projects

molsystem

Last released

molsystem

seamm-dashboard

Last released

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

read-structure-step

Last released

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

seamm-dashboard-client

Last released

A Python client for the SEAMM Dashboard RESTful API.

seamm

Last released

The core of the SEAMM environment and graphical interface.

control-parameters-step

Last released

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

mopac-step

Last released

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

quickmin-step

Last released

A SEAMM plug-in for simple, quick minimization

seamm-util

Last released

seamm_util

dftbplus-step

Last released

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

table-step

Last released

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

from-smiles-step

Last released

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

loop-step

Last released

A SEAMM plug-in which provides loops in flowcharts.

lammps-step

Last released

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

supercell-step

Last released

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

seamm-installer

Last released

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

gaussian-step

Last released

A SEAMM plugin for A SEAMM plug-in for Gaussian

psi4-step

Last released

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

fhi-aims-step

Last released

A SEAMM plug-in for FHI-aims

forcefield-step

Last released

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

packmol-step

Last released

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

diffusivity-step

Last released

A SEAMM plug-in for Diffusivity

seamm-ff-util

Last released

seamm_ff_util

properties-step

Last released

A SEAMM plug-in for Properties

thermal-conductivity-step

Last released

A SEAMM plug-in for Thermal Conductivity

seamm-jobserver

Last released

seamm_jobserver

qcarchive-step

Last released

A SEAMM plug-in for QCArchive

torchani-step

Last released

A SEAMM plug-in for TorchANI

rdkit-step

Last released

A SEAMM plugin for A SEAMM plug-in for RDKit

geometry-analysis-step

Last released

A SEAMM plug-in for analysis of the geometry of particularly small molecules

strain-step

Last released

A SEAMM plug-in for straining periodic systems

seamm-widgets

Last released

seamm_widgets

seamm-cookiecutter

Last released

Cookiecutter for SEAMM plug-ins, substeps and forcefields

cms-plots

Last released

Helper programs for plotting CMS data such as bandstructures and DOS.

crystal-builder-step

Last released

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

seamm-datastore

Last released

seamm_datastore

custom-step

Last released

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

set-cell-step

Last released

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

chemical-formula

Last released

chemical_formula

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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