metadata.json

{
    "Identifier": "eos4u6p",
    "Slug": "cc-signaturizer",
    "Status": "Ready",
    "Title": "Chemical Checker signaturizer",
    "Description": "A set of 25 Chemical Checker bioactivity signatures (including 2D & 3D fingerprints, scaffold, binding, crystals, side effects, cell bioassays, etc) to capture properties of compounds beyond their structures. Each signature has a length of 128 dimensions. In total, there are 3200 dimensions. The signaturizer is periodically updated. We use the 2020-02 version of the signaturizer.\n",
    "Mode": "Pretrained",
    "Input": [
        "Compound"
    ],
    "Input Shape": "Single",
    "Task": [
        "Representation"
    ],
    "Output": [
        "Descriptor"
    ],
    "Output Type": [
        "Float"
    ],
    "Output Shape": "List",
    "Interpretation": "2D projection of bioactivity signatures",
    "Tag": [
        "Descriptor",
        "Bioactivity profile",
        "Embedding"
    ],
    "Publication": "https://www.nature.com/articles/s41467-021-24150-4",
    "Source Code": "http://gitlabsbnb.irbbarcelona.org/packages/signaturizer",
    "License": "MIT",
    "Contributor": "miquelduranfrigola",
    "S3": "https://ersilia-models-zipped.s3.eu-central-1.amazonaws.com/eos4u6p.zip",
    "DockerHub": "https://hub.docker.com/r/ersiliaos/eos4u6p",
    "Docker Architecture": [
        "AMD64",
        "ARM64"
    ]
}