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1. censorADMET censorADMET Public

   Constraint-satisficing regression for censored ADMET prediction.

   Python

2. screensift screensift Public

   Leakage-aware MAPK1 virtual screening benchmark portfolio project

   Python

3. Syndesis Syndesis Public

   Evidence-concordant, interaction-constrained EGFR ATP-site analog design workflow (case study). Accepts a candidate only when docking pose, interaction fingerprints, a leakage-controlled pose-confi…

   Python

4. antibody-prioritization antibody-prioritization Public

   Validation-aware public-data antibody sequence ML workflow for retrospective benchmarking and existing-record prioritization.

   Python

5. egfr-cadd-qsar-admet egfr-cadd-qsar-admet Public

   Retrospective EGFR CADD and QSAR workflow over ChEMBL activity records with scaffold-aware validation and model-risk reporting.

   Python

6. reaction-yield-prediction reaction-yield-prediction Public

   Reproducible reaction-yield modeling workflow on public HTE data with leakage-aware validation and interpretable baselines.

   Python