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metadata.json
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metadata.json
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{
"Identifier": "eos3b5e",
"Slug": "molecular-weight",
"Status": "Ready",
"Title": "Molecular weight",
"Description": "The model is simply an implementation of the function Descriptors.MolWt of the chemoinformatics package RDKIT. It takes as input a small molecule (SMILES) and calculates its molecular weight in g/mol.\n",
"Mode": "Pretrained",
"Input": [
"Compound"
],
"Input Shape": "Single",
"Task": [
"Regression"
],
"Output": [
"Other value"
],
"Output Type": [
"Float"
],
"Output Shape": "Single",
"Interpretation": "Calculated molecular weight (g/mol)",
"Tag": [
"Molecular weight"
],
"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/eos3b5e.zip",
"DockerHub": "https://hub.docker.com/r/ersiliaos/eos3b5e",
"Docker Architecture": [
"AMD64"
]
}