{
    "conceptdoi": "10.5281/zenodo.7789853",
    "date": "2024-10-22T05:38:50.275301+00:00",
    "doi": "10.5281/zenodo.13968537",
    "packages": {
        "control-parameters-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for defining command-line parameters for a flowchart.",
            "type": "MolSSI plug-in",
            "version": "2023.11.15"
        },
        "crystal-builder-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for creating crystals from prototypes, including Strukturbericht designations.",
            "type": "MolSSI plug-in",
            "version": "2022.7.31"
        },
        "custom-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for custom Python scripts in a flowchart.",
            "type": "MolSSI plug-in",
            "version": "2023.12.12"
        },
        "dftbplus-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for DFTB+, a fast quantum mechanical simulation code.",
            "type": "MolSSI plug-in",
            "version": "2024.10.20"
        },
        "diffusivity-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for Diffusivity",
            "type": "MolSSI plug-in",
            "version": "2024.7.30.1"
        },
        "energy-scan-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for calculating energy profiles along coordinates",
            "type": "MolSSI plug-in",
            "version": "2024.5.23"
        },
        "fhi-aims-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for FHI-aims",
            "type": "MolSSI plug-in",
            "version": "2024.7.30"
        },
        "forcefield-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for setting up a forcefield or EAM potentials for subsequent simulations.",
            "type": "MolSSI plug-in",
            "version": "2024.6.30"
        },
        "from-smiles-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for creating structures from a SMILES string.",
            "type": "MolSSI plug-in",
            "version": "2023.11.10"
        },
        "gaussian-step": {
            "channel": "pypi",
            "description": "A SEAMM plugin for A SEAMM plug-in for Gaussian",
            "type": "MolSSI plug-in",
            "version": "2024.10.15"
        },
        "geometry-analysis-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for analysis of the geometry of particularly small molecules",
            "type": "MolSSI plug-in",
            "version": "2023.1.14"
        },
        "lammps-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for LAMMPS, a forcefield-based molecular dynamics code.",
            "type": "MolSSI plug-in",
            "version": "2024.8.22"
        },
        "loop-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in which provides loops in flowcharts.",
            "type": "MolSSI plug-in",
            "version": "2024.10.15"
        },
        "molsystem": {
            "channel": "conda-forge",
            "description": "molsystem",
            "type": "Core package",
            "version": "2024.10.1"
        },
        "mopac-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in to setup, run and analyze semiempirical calculations with MOPAC",
            "type": "MolSSI plug-in",
            "version": "2024.10.15"
        },
        "packmol-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for building periodic boxes of fluid using Packmol",
            "type": "MolSSI plug-in",
            "version": "2024.7.25"
        },
        "properties-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for Properties",
            "type": "MolSSI plug-in",
            "version": "2023.7.31"
        },
        "psi4-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4",
            "type": "MolSSI plug-in",
            "version": "2024.10.15"
        },
        "pyxtal-step": {
            "channel": "pypi",
            "description": "A SEAMM plugin for PyXtal for building atomic and molecular crystals.",
            "type": "3rd-party plug-in",
            "version": "2021.7.29"
        },
        "qcarchive-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for QCArchive",
            "type": "MolSSI plug-in",
            "version": "2023.3.30"
        },
        "quickmin-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for simple, quick minimization",
            "type": "MolSSI plug-in",
            "version": "2024.5.7"
        },
        "rdkit-step": {
            "channel": "pypi",
            "description": "A SEAMM plugin for A SEAMM plug-in for RDKit",
            "type": "MolSSI plug-in",
            "version": "2023.2.22"
        },
        "read-structure-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in to read common formats in computational chemistry",
            "type": "MolSSI plug-in",
            "version": "2024.8.23"
        },
        "reference-handler": {
            "channel": "conda-forge",
            "description": "no description given",
            "type": "Core package",
            "version": "0.9.1"
        },
        "seamm": {
            "channel": "conda-forge",
            "description": "The core of the SEAMM environment and graphical interface.",
            "type": "Core package",
            "version": "2024.10.20"
        },
        "seamm-ase": {
            "channel": "pypi",
            "description": "Connector between SEAMM and ASE",
            "type": "3rd-party plug-in",
            "version": "2024.10.20"
        },
        "seamm-dashboard": {
            "channel": "conda-forge",
            "description": "The Web Dashboard for SEAMM (Simulation Environment for Atomistic and Molecular Simulations).",
            "type": "Core package",
            "version": "2024.6.2"
        },
        "seamm-datastore": {
            "channel": "conda-forge",
            "description": "seamm_datastore",
            "type": "Core package",
            "version": "2024.6.2"
        },
        "seamm-exec": {
            "channel": "pypi",
            "description": "Classes to execute background codes for SEAMM",
            "type": "Core package",
            "version": "2024.7.25"
        },
        "seamm-ff-util": {
            "channel": "conda-forge",
            "description": "seamm_ff_util",
            "type": "Core package",
            "version": "2024.6.27"
        },
        "seamm-geometric": {
            "channel": "pypi",
            "description": "geomeTRIC connector for SEAMM",
            "type": "3rd-party plug-in",
            "version": "2024.10.20"
        },
        "seamm-installer": {
            "channel": "conda-forge",
            "description": "The installer/updater for SEAMM (Simulation Environment for Atomistic and Molecular Simulations).",
            "type": "Core package",
            "version": "2024.4.22"
        },
        "seamm-jobserver": {
            "channel": "pypi",
            "description": "The JobServer for the SEAMM environment.",
            "type": "Core package",
            "version": "2024.3.12"
        },
        "seamm-util": {
            "channel": "conda-forge",
            "description": "seamm_util",
            "type": "Core package",
            "version": "2024.8.22"
        },
        "seamm-widgets": {
            "channel": "conda-forge",
            "description": "seamm_widgets",
            "type": "Core package",
            "version": "2024.10.10"
        },
        "set-cell-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for setting the periodic (unit) cell.",
            "type": "MolSSI plug-in",
            "version": "2021.10.14"
        },
        "strain-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for straining periodic systems",
            "type": "MolSSI plug-in",
            "version": "2022.11.7"
        },
        "structure-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for energy optimized structures",
            "type": "3rd-party plug-in",
            "version": "2024.10.24"
        },
        "supercell-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for building supercells of periodic systems.",
            "type": "MolSSI plug-in",
            "version": "2023.11.5"
        },
        "table-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for data tables in a flowchart.",
            "type": "MolSSI plug-in",
            "version": "2023.11.10"
        },
        "thermal-conductivity-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for Thermal Conductivity",
            "type": "MolSSI plug-in",
            "version": "2024.6.3"
        },
        "torchani-step": {
            "channel": "pypi",
            "description": "A SEAMM plug-in for TorchANI",
            "type": "MolSSI plug-in",
            "version": "2024.10.15"
        }
    }
}