ADMET

secondsPaperCodeProduction Ready

Quickly predict drug properties

Readiness

Readiness: Production Ready
Smoke: passed
Artifacts: passed
Production: production_pass
Storage: <5
Strategy: validated; reuse existing report/container on backend
Next: Expose multi-molecule CSV upload and property-column filtering in the frontend; keep CPU overlay as the default shared runtime.

ADMET-AI 2.0.1 runs through the existing Singularity SIF plus 4GB overlay. Real runner adapter validated through Slurm job 255; runtime 24.695s, predicted 3 molecules with 106 columns and produced downloadable admet_predictions.csv plus summary/results artifacts.