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ersiliaos/eos4ex3

Sponsored OSS

By Ersilia Open Source Initiative

•Updated about 1 month ago

Ersilia Model Hub Identifier: eos4ex3

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ersiliaos/eos4ex3 repository overview

⁠MolE molecular representation through redundancy reduced embeddings

MolE representations (Molecular representation through redundancy reduced Embeddings) are task-independent, learned molecular embeddings generated through a self-supervised deep learning approach. They are designed to encode chemically meaningful information about molecules without needing labeled training data.

This model was incorporated on 2025-06-23.Last packaged on 2026-08-31.

⁠Information

⁠Identifiers
  • Ersilia Identifier: eos4ex3
  • Slug: mole-representations
⁠Domain
  • Task: Representation
  • Subtask: Featurization
  • Biomedical Area: Any
  • Target Organism: Any
  • Tags: Descriptor
⁠Input
  • Input: Compound
  • Input Dimension: 1
⁠Output
  • Output Dimension: 1000
  • Output Consistency: Fixed
  • Interpretation: Vector representation of a molecule

Below are the Output Columns of the model:

NameTypeDirectionDescription
feat_000floatFeature 0 of the Molecular representation through redundancy reduced Embeddings
feat_001floatFeature 1 of the Molecular representation through redundancy reduced Embeddings
feat_002floatFeature 2 of the Molecular representation through redundancy reduced Embeddings
feat_003floatFeature 3 of the Molecular representation through redundancy reduced Embeddings
feat_004floatFeature 4 of the Molecular representation through redundancy reduced Embeddings
feat_005floatFeature 5 of the Molecular representation through redundancy reduced Embeddings
feat_006floatFeature 6 of the Molecular representation through redundancy reduced Embeddings
feat_007floatFeature 7 of the Molecular representation through redundancy reduced Embeddings
feat_008floatFeature 8 of the Molecular representation through redundancy reduced Embeddings
feat_009floatFeature 9 of the Molecular representation through redundancy reduced Embeddings

10 of 1000 columns are shown

⁠Source and Deployment
⁠Resource Consumption
  • Model Size (Mb): 768
  • Environment Size (Mb): 1334
  • Image Size (Mb): 3633.26

Computational Performance (seconds):

  • 10 inputs: 40.36
  • 100 inputs: 26.88
  • 10000 inputs: 303.91
⁠References
⁠License

This 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.

⁠Use

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 eos4ex3

Then, you can serve, run and close the model as follows:

# serve the model
ersilia serve eos4ex3
# 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

⁠About Ersilia

The Ersilia Open Source Initiative⁠ is a tech non-profit organization fueling sustainable research in the Global South. Please cite⁠ the Ersilia Model Hub if you've found this model to be useful. Always let us know⁠ if you experience any issues while trying to run it. If you want to contribute to our mission, consider donating⁠ to Ersilia!

Tag summary

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Image

Digest

sha256:0d2a8f2d5…

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2.5 GB

Last updated

about 1 month ago

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