3-engine consensus scoring with AutoDock Vina, GNINA CNN, and SMINA. MM-GBSA free energy calculations.
Start DockingOpenMM GPU-accelerated molecular dynamics. RMSD/RMSF analysis, 20ns-100ns trajectories with auto-resume.
Run MD6 regression + 3 classification ML models. Batch prediction, read-across, feature selection with RDKit.
Run QSARDrug-likeness, Lipinski Rule of Five, PAINS filters, toxicity risk, BBB penetration analysis.
Predict ADMETProtein-based and ligand-based screening. Batch mode, target ID, and model building with RDKit.
ExploreAutonomous agent for literature search, hypothesis generation, and multi-step research planning.
Try AI AgentSPSS-level analysis with 20 test types, APA-formatted output, interactive charts, auto-analyze mode.
Open StatsLit review, paper, thesis, grant, and regulatory writing with AI assistance and 36K+ journal recommender.
Start WritingNotebookLM-style document reader with podcast generation. ChromaDB-powered RAG for PDF, DOCX, XLSX.
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