“refinement”的搜索结果

Generates 3D conformer ensembles using RDKit ETKDGv3 with knowledge-enhanced distance geometry, MMFF94/UFF force-field optimization, CREST + GFN2-xTB semi-empirical refinement, and macrocycle-aware torsion preferences. Provides explicit decision rules for single vs ensemble conformer use, RMSD pruning, energy windows, conformer count, and force-field choice. Use when preparing 3D ligands for docking, generating descriptor input for 3D QSAR, or sampling macrocycle/peptide conformational ensembles.

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SPARC (Specification, Pseudocode, Architecture, Refinement, Completion) comprehensive development methodology with multi-agent orchestration

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Generates 3D conformer ensembles using RDKit ETKDGv3 with knowledge-enhanced distance geometry, MMFF94/UFF force-field optimization, CREST + GFN2-xTB semi-empirical refinement, and macrocycle-aware torsion preferences. Provides explicit decision rules for single vs ensemble conformer use, RMSD pruning, energy windows, conformer count, and force-field choice. Use when preparing 3D ligands for docking, generating descriptor input for 3D QSAR, or sampling macrocycle/peptide conformational ensembles.

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Identifies when task outputs require iteration based on quality signals, unmet requirements, or explicit feedback. Triggers appropriate re-execution strategies. Activate on 'needs iteration', 'retry needed', 'not good enough', 'try again', 'refine output'. NOT for feedback generation (use dag-feedback-synthesizer) or convergence tracking (use dag-convergence-monitor).

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Interactive, input-tool powered, task refinement workflow: interrogates scope, deliverables, constraints before carrying out the task; Requires the Joyride extension.

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Interactive prompt refinement workflow: interrogates scope, deliverables, constraints; copies final markdown to clipboard; never writes code. Requires the Joyride extension.

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Patterns and techniques for evaluating and improving AI agent outputs. Use this skill when: - Implementing self-critique and reflection loops - Building evaluator-optimizer pipelines for quality-critical generation - Creating test-driven code refinement workflows - Designing rubric-based or LLM-as-judge evaluation systems - Adding iterative improvement to agent outputs (code, reports, analysis) - Measuring and improving agent response quality

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Stress-test a plan against existing domain language, code behavior, and durable decisions. Use when the user wants DDD/domain-model grilling, glossary refinement, terminology challenges, context documentation, ADR candidates, or plan validation against a repo's language.

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Clarify a concrete requirements decision, create one bounded static interview packet, or run an explicitly user-invoked frontier batch over a plan, decision, or idea; trigger on explicit grill/interview/refinement intent or a named material ambiguity, not on ordinary planning, implementation, research, test-plan, report-style review, or BUILD work.

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