ersiliaos/eos4cxk repository overview

⁠SARS-CoV-2 Anti viral screening

Profiles a candidate across the thirteen SARS-CoV-2 bioassays released by the National Center for Advancing Translational Sciences, spanning 3CL protease and ACE2 inhibition, spike-ACE2 binding, pseudoparticle and live-virus entry, and the matching human cytotoxicity counter-screens, each handled as its own binary classification. Features come from ImageMol, an encoder pretrained on ten million unlabelled molecules drawn as pictures. Ersilia fine-tuned the thirteen per-assay networks, because the authors released this assay data but not these checkpoints.

This model was incorporated on 2023-01-25.Last packaged on 2026-10-07.

⁠Information

⁠Identifiers

• Ersilia Identifier: eos4cxk
• Slug: image-mol-sars-cov2

⁠Domain

• Task: Annotation
• Subtask: Activity prediction
• Biomedical Area: COVID-19
• Target Organism: SARS-CoV-2
• Tags: Antiviral activity

⁠Input

• Input: Compound
• Input Dimension: 1

⁠Output

• Output Dimension: 13
• Output Consistency: Fixed
• Interpretation: Probability of activity in each of thirteen SARS-CoV-2 assays and their human cytotoxicity counter-screens.

Below are the Output Columns of the model:

10 of 13 columns are shown

⁠Source and Deployment

• Source: Local
• Source Type: External
• DockerHub: https://hub.docker.com/r/ersiliaos/eos4cxk⁠
• Docker Architecture: AMD64, ARM64
• S3 Storage: https://ersilia-models-zipped.s3.eu-central-1.amazonaws.com/eos4cxk.zip⁠

⁠Resource Consumption

• Model Size (Mb): 556
• Environment Size (Mb): 1214
• Image Size (Mb): 2874.89

Computational Performance (seconds):

• 10 inputs: 26.27
• 100 inputs: 50.98
• 10000 inputs: -1

⁠References

• Source Code: https://github.com/HongxinXiang/ImageMol⁠
• Publication: https://doi.org/10.1038/s42256-022-00557-6⁠
• Publication Type: Peer reviewed
• Publication Year: 2022
• Ersilia Contributor: DhanshreeA⁠

⁠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 eos4cxk

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

# serve the model
ersilia serve eos4cxk
# 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!