Active Aims: Aim 4: Structure-based virtual screening on Cheaha HPC - Task 4.2 in progress
Current Task: Task 4.2 | Scale Vina docking to full 100-ligand screen | Iteration 1
AGE daily scores: Achievement=9 / Growth=5 / Efforts=5 Accuracy: Scavenger data integrity and row counts verified against prior day. Generalizability: PLEASER stage E processing remains stable. Efficiency: No significant changes in processing throughput or automation efficiency.
Delta vs yesterday: Scavenger data remains stable with zero net change in molecule count or pChEMBL coverage.
Blockers: none
Next 24 hours: Execute Vina docking runs for the expanded 100-ligand set on Cheaha HPC.
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