ersiliaos/eos4cxk repository overview

⁠SARS-CoV-2 Anti viral screening

ImageMol is a Representation Learning Framework that utilizes molecule images for encoding molecular inputs as machine readable vectors for downstream tasks such as bio-activity prediction, drug metabolism analysis, or drug toxicity prediction. The approach utilizes transfer learning, pre-training the model on massive unlabeled datasets to help it in generalizing feature extraction and then fine tuning on specific tasks. This model is fine tuned on 13 assays with target categories ranging from viral entry to toxicity in humans. These interactions are formulated as binary classification tasks

This model was incorporated on 2023-01-25.Last packaged on 2026-09-23.

⁠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 the molecule being active in each assay

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): 1215
• Image Size (Mb): 2874.86

Computational Performance (seconds):

• 10 inputs: 29.25
• 100 inputs: 55.69
• 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!