Please see the report in Jupyter notebbok format. It describes the three stages of the project in full:
- Data exploration
- Establishing a performance baseline
- Finetuning the GraphGPS model for EGFR potency prediction
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Using GraphGPS to predict the EGFR activity of compounds
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tz545/EGFR-detection-GraphGPS
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Using GraphGPS to predict the EGFR activity of compounds
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