Molecular machine learning toolkit. Property prediction (ADMET, toxicity), GNNs (GCN, MPNN), MoleculeNet benchmarks,...

Pythonic wrapper around RDKit with simplified interface and sensible defaults. Preferred for standard drug...

Parallel/distributed computing. Scale pandas/NumPy beyond memory, parallel DataFrames/Arrays, multi-file processing,...

Technical leadership guidance for engineering teams, architecture decisions, and technology strategy. Includes tech...

Pre-implementation confidence assessment (≥90% required). Use before starting any implementation to verify readiness...

Comprehensive code review skill for TypeScript, JavaScript, Python, Swift, Kotlin, Go. Includes automated code...

Constraint-based metabolic modeling (COBRA). FBA, FVA, gene knockouts, flux sampling, SBML models, for systems...