ersiliaos/eos3dys repository overview

⁠CoADD antimicrobial prediction

Scores compounds across 22 antimicrobial and cytotoxicity endpoints built from the Community for Open Antimicrobial Drug Discovery screening collection. Ersilia trained a separate model for every organism and strain with at least 100 measured compounds, plus cytotoxicity readouts, binarising activity at 50% growth inhibition for single-point assays and 25 uM for dose-response. Models reached an AUROC between 0.64 and 0.97 in 5-fold cross-validation using the LazyQSAR package.

This model was incorporated on 2026-05-19.Last packaged on 2026-10-06.

⁠Information

⁠Identifiers

• Ersilia Identifier: eos3dys
• Slug: coadd-antimicrobial-activity

⁠Domain

• Task: Annotation
• Subtask: Activity prediction
• Biomedical Area: Antimicrobial resistance
• Target Organism: Acinetobacter baumannii, Candida albicans, Klebsiella pneumoniae, Pseudomonas aeruginosa, Staphylococcus aureus, Cryptococcus neoformans, Candida glabrata, Cryptococcus deuterogattii, Homo sapiens
• Tags: Antimicrobial activity, ESKAPE

⁠Input

• Input: Compound
• Input Dimension: 1

⁠Output

• Output Dimension: 22
• Output Consistency: Fixed
• Interpretation: Rank scores for pathogen inhibition and cytotoxicity, where higher values indicate stronger predicted activity.

Below are the Output Columns of the model:

10 of 22 columns are shown

⁠Source and Deployment

• Source: Local
• Source Type: Internal
• DockerHub: https://hub.docker.com/r/ersiliaos/eos3dys⁠
• Docker Architecture: AMD64, ARM64
• S3 Storage: https://ersilia-models-zipped.s3.eu-central-1.amazonaws.com/eos3dys.zip⁠

⁠Resource Consumption

• Model Size (Mb): 751
• Environment Size (Mb): 3636
• Image Size (Mb): 4848.35

Computational Performance (seconds):

• 10 inputs: 68.9
• 100 inputs: 64.56
• 10000 inputs: -1

⁠References

• Source Code: https://github.com/ersilia-os/coadd-binary-tasks⁠
• Publication: https://co-add.org⁠
• Publication Type: Other
• Publication Year: 2026
• Ersilia Contributor: GemmaTuron⁠

⁠License

This package is licensed under a GPL-3.0⁠ license. The model contained within this package is licensed under a GPL-3.0-only⁠ 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 eos3dys

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

# serve the model
ersilia serve eos3dys
# 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!