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ersiliaos/eos6wb7

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By Ersilia Open Source Initiative

•Updated about 10 hours ago

Ersilia Model Hub Identifier: eos6wb7

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ersiliaos/eos6wb7 repository overview

⁠Antimicrobial activity prediction against Klebsiella pneumoniae from public ChEMBL data

Bioactivity prediction of growth inhibition in Klebsiella pneumoniae, trained as binary (active/inactive) classifiers from publicly available data in ChEMBL. Independent models are trained on multiple bioactivity datasets, corresponding to single-point (Inhibition) and dose-response (MIC) assays, among others. A ranking score is provided for each model alongside a combined consensus score.

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

⁠Information

⁠Identifiers
  • Ersilia Identifier: eos6wb7
  • Slug: antimicrobial-activity-kpneumoniae
⁠Domain
  • Task: Annotation
  • Subtask: Activity prediction
  • Biomedical Area: Antimicrobial resistance, Pneumonia
  • Target Organism: Klebsiella pneumoniae
  • Tags: Gram-negative bacteria, ESKAPE, Antimicrobial activity, ChEMBL
⁠Input
  • Input: Compound
  • Input Dimension: 1
⁠Output
  • Output Dimension: 11
  • Output Consistency: Fixed
  • Interpretation: Probability of antimicrobial activity against Klebsiella pneumoniae from 10 ChEMBL-trained sub-models, plus a quality-weighted consensus score.

Below are the Output Columns of the model:

NameTypeDirectionDescription
consensus_scorefloathighQuality-weighted consensus across the 10 sub-models on the same rank scale as the sub-models. Calibrated against a reference library of 50K drug-like molecules so that a score of 0.65 is better than 99% of them. Recommended threshold: 0.65.
chembl_single_point_0floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 108 assays (1274 compounds). Recommended threshold: 0.65.
chembl_single_point_1floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 39 assays (499 compounds). Recommended threshold: 0.65.
chembl_single_point_2floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 43 assays (474 compounds). Recommended threshold: 0.65.
chembl_single_point_3floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 34 assays (329 compounds). Recommended threshold: 0.65.
chembl_single_point_4floathighProbability from sub-model trained on ChEMBL single-point signal-based pool of 22 assays (192 compounds). Recommended threshold: 0.65.
chembl_dose_response_0floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 526 assays (6242 compounds). Recommended threshold: 0.65.
chembl_dose_response_1floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 363 assays (3322 compounds). Recommended threshold: 0.65.
chembl_dose_response_2floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 160 assays (2377 compounds). Recommended threshold: 0.65.
chembl_dose_response_3floathighProbability from sub-model trained on ChEMBL dose-response signal-based pool of 129 assays (1379 compounds). Recommended threshold: 0.65.

10 of 11 columns are shown

⁠Source and Deployment
⁠Resource Consumption
  • Model Size (Mb): 169
  • Environment Size (Mb): 7982
  • Image Size (Mb): 8124.01

Computational Performance (seconds):

  • 10 inputs: 51.81
  • 100 inputs: 44.61
  • 10000 inputs: 1380.2
⁠References
⁠License

This package is licensed under a GPL-3.0⁠ license. The model contained within this package is licensed under a GPL-3.0-or-later⁠ 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 eos6wb7

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

# serve the model
ersilia serve eos6wb7
# 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

Content type

Image

Digest

sha256:3687d48e1…

Size

4 GB

Last updated

1 day ago

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