metadata.json

{
    "Identifier": "eos7jio",
    "Slug": "rdkit-fingerprint",
    "Status": "Ready",
    "Title": "Path-based fingerprint",
    "Description": "Path-based fingerprints calculated with the RDKit package Chem.RDKFingerprint. It is inspired in the Daylight fingerprint. As explained in the RDKit Book, the fingerprinting algorithm identifies all subgraphs in the molecule within a particular range of sizes, hashes each subgraph to generate a raw bit ID, mods that raw bit ID to fit in the assigned fingerprint size, and then sets the corresponding bit. \n",
    "Mode": "Pretrained",
    "Input": [
        "Compound"
    ],
    "Input Shape": "Single",
    "Task": [
        "Representation"
    ],
    "Output": [
        "Descriptor"
    ],
    "Output Type": [
        "Float"
    ],
    "Output Shape": "List",
    "Interpretation": "Vector representation of small molecules",
    "Tag": [
        "Fingerprint",
        "Descriptor"
    ],
    "Publication": "https://www.rdkit.org/docs/RDKit_Book.html",
    "Source Code": "https://github.com/rdkit/rdkit",
    "License": "BSD-3.0",
    "Contributor": "miquelduranfrigola",
    "S3": "https://ersilia-models-zipped.s3.eu-central-1.amazonaws.com/eos7jio.zip",
    "DockerHub": "https://hub.docker.com/r/ersiliaos/eos7jio",
    "Docker Architecture": [
        "AMD64"
    ]
}