metadata.json

{
    "Identifier": "eos4wt0",
    "Slug": "morgan-fps",
    "Status": "Ready",
    "Title": "Morgan Fingerprints",
    "Description": "The Morgan Fingerprints are one of the most widely used molecular representations. They are circular representations (from an atom,search the atoms around with a radius n) and can have thousands of features. This implementation uses the RDKit package and is done with radius 3 and 2048 dimensions,providing a binary vector as output. For Morgan counts, see eos5axz.",
    "Mode": "Pretrained",
    "Task": [
        "Representation"
    ],
    "Input": [
        "Compound"
    ],
    "Input Shape": "Single",
    "Output": [
        "Descriptor"
    ],
    "Output Type": [
        "Integer"
    ],
    "Output Shape": "List",
    "Interpretation": "Binary vector representing the SMILES",
    "Tag": [
        "Descriptor",
        "Fingerprint"
    ],
    "Publication": "https://pubmed.ncbi.nlm.nih.gov/20426451/",
    "Source Code": "https://www.rdkit.org/docs",
    "License": "BSD-3.0",
    "S3": "https://ersilia-models-zipped.s3.eu-central-1.amazonaws.com/eos4wt0.zip",
    "DockerHub": "https://hub.docker.com/r/ersiliaos/eos4wt0",
    "Docker Architecture": [
        "AMD64",
        "ARM64"
    ]
}