Ersilia Model Hub Identifier: eos7jur
843
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.
Notice: Ersilia grants access to models as is, directly from the original authors, please refer to the original code repository and/or publication if you use the model in your research.
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
27 days ago
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