Ersilia Model Hub Identifier: eos7jur
563
Decomposes a natural product into the biosynthetic building blocks its assembly line would have used, returning a 452-dimensional count vector over monomer tokens spanning polyketide extender units, amino acids and tailoring modifications. RetroMol was built to give natural products and their biosynthetic gene clusters a shared encoding, and applies curated retrobiosynthetic rules rather than a trained model, so output is fully deterministic. A coverage value reports how much of the molecule was parsed; compounds outside modular polyketide and nonribosomal peptide chemistry parse poorly.
This model was incorporated on 2026-09-18.Last packaged on 2026-09-18.
eos7jurretromol-fingerprintRepresentationFeaturizationAnyAnyFingerprint, Natural product, DescriptorCompound1453FixedBelow are the Output Columns of the model:
| Name | Type | Direction | Description |
|---|---|---|---|
| feat_000 | float | high | Accumulated weight of monomers that no matching rule could identify |
| feat_001 | float | high | Accumulated weight of the 1-(1-1-dimethylallyl)-tryptophan biosynthetic building block token |
| feat_002 | float | high | Accumulated weight of the 1-aminocyclopropane-1-carboxylic acid biosynthetic building block token |
| feat_003 | float | high | Accumulated weight of the 1-pyrroline-5-carboxylic acid biosynthetic building block token |
| feat_004 | float | high | Accumulated weight of the 10-14-dimethyloctadecanoic acid biosynthetic building block token |
| feat_005 | float | high | Accumulated weight of the 2-2-dimethylpropanoic acid biosynthetic building block token |
| feat_006 | float | high | Accumulated weight of the 2-3-diaminobutyric acid biosynthetic building block token |
| feat_007 | float | high | Accumulated weight of the 2-3-diaminopropionate biosynthetic building block token |
| feat_008 | float | high | Accumulated weight of the 2-3-dihydroxy-para-aminobenzoic acid biosynthetic building block token |
| feat_009 | float | high | Accumulated weight of the 2-3-dihydroxybenzoic acid biosynthetic building block token |
10 of 453 columns are shown
LocalExternalAMD64, ARM641931940.12Computational Performance (seconds):
28.9621.29249.73Preprint2026This package is licensed under a GPL-3.0 license. The model contained within this package is licensed under a MIT license.
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To use this model locally, you need to have the Ersilia CLI installed. The model can be fetched using the following command:
# fetch model from the Ersilia Model Hub
ersilia fetch eos7jur
Then, you can serve, run and close the model as follows:
# serve the model
ersilia serve eos7jur
# generate an example file
ersilia example -n 3 -f my_input.csv
# run the model
ersilia run -i my_input.csv -o my_output.csv
# close the model
ersilia close
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Content type
Image
Digest
sha256:f195cd26b…
Size
325.6 MB
Last updated
6 days ago
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