manifest.json

{
    "build_requirements": {
        "memory": 8192
    },
    "conda_channels": [
        "anaconda",
        "conda-forge",
        "omnia/label/cuda100",
        "omnia",
        "OpenEye/label/Orion",
        "plotly",
        "jjdelany"
    ],
    "conda_dependencies": [
        "cerberus==1.1",
        "cudatoolkit==10.0.130",
        "h5py==2.9.0",
        "hdbscan==0.8.26",
        "orion_gromacs_gpu",
        "matplotlib==3.2.1",
        "mdtraj==1.9.3",
        "networkx==2.3",
        "numpy==1.18.5",
        "oeommtools==0.1.14",
        "openforcefield==0.6.0",
        "openforcefields==1.2.0",
        "openmm==7.4.2",
        "openmoltools==0.8.7",
        "packmol==18.169",
        "parmed==3.2.0",
        "pdbfixer==1.6",
        "pip==18.0",
        "plotly==4.5.0",
        "plotly-orca==1.2.1",
        "pymbar==3.0.3",
        "pyyaml==3.13",
        "pyparsing==2.3.0",
        "scikit-learn==0.23.1",
        "seaborn==0.10.1",
        "smirnoff99frosst=1.1.0",
        "tqdm==4.42.0"
    ],
    "name": "OpenEye MD Floes",
    "python_version": "3.7.7",
    "requirements": "requirements_dev.txt",
    "uuid": "8ad7e185-9b86-4112-a2e7-a367e5123e29",
    "version": "2.0.0"
}