Retrieve structurally similar compounds with known properties from ChEMBL/ZINC to ground predictions and inform optimization. Based on MolRAG (Xian 2025, ACL).
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2.7천건 · 관련도순
Retrieve structurally similar compounds with known properties from ChEMBL/ZINC to ground predictions and inform optimization. Based on MolRAG (Xian 2025, ACL).
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Performs molecular similarity searching using Tanimoto, Tversky, Dice, and cosine coefficients on bit/count fingerprints with explicit choice rules for symmetric vs asymmetric measures, scaffold-hopping vs lead-optimization regimes, activity-cliff diagnosis, and large-library nearest-neighbor methods (BulkTanimoto, Annoy MHFP6, USRCAT). Use when ranking compounds by structural resemblance to a query, clustering libraries, finding analogs, or diagnosing activity cliffs.
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Compile your local stellar-build usage traces into sharper skills. Use when the user says "optimize my skills", "optimize-skills", "improve my skills from usage", "learn from my traces", "stellar-loop optimize", or wants the learning loop to refine installed skills based on how they've actually been used. DSPy-style prompt optimization over the local trace store at ~/.stellar-build/traces — fully local, reversible.
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When the user wants to create, optimize, or analyze a referral program, affiliate program, or word-of-mouth strategy. Also use when the user mentions 'referral,' 'affiliate,' 'ambassador,' 'word of mouth,' 'viral loop,' 'refer a friend,' or 'partner program.' This skill covers program design, incentive structure, and growth optimization.
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When the user wants to optimize post-signup onboarding, user activation, first-run experience, or time-to-value. Also use when the user mentions "onboarding flow," "activation rate," "user activation," "first-run experience," "empty states," "onboarding checklist," "aha moment," or "new user experience." For signup/registration optimization, see signup-flow-cro. For ongoing email sequences, see email-sequence.
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When the user wants help with paid advertising campaigns on Google Ads, Meta (Facebook/Instagram), LinkedIn, Twitter/X, or other ad platforms. Also use when the user mentions 'PPC,' 'paid media,' 'ad copy,' 'ad creative,' 'ROAS,' 'CPA,' 'ad campaign,' 'retargeting,' or 'audience targeting.' This skill covers campaign strategy, ad creation, audience targeting, and optimization.
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Build AI pricing optimization. TRIGGERS - Use when user needs help with ai-pricing-optimizer related tasks.
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Build AI inventory optimization systems. TRIGGERS - Use when user needs help with ai-inventory-optimizer related tasks.
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Build AI calendar optimization systems. TRIGGERS - Use when user needs help with ai-calendar-optimizer related tasks.
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Build AI budget optimization systems. TRIGGERS - Use when user needs help with ai-budget-optimizer related tasks.
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Manage AI costs with usage tracking and optimization. TRIGGERS - Use when user needs help with ai-cost-management related tasks.
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Guide agency management system setup and optimization. TRIGGERS - Use when user needs help with agency-management-system related tasks.
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Convert an image between PNG, JPEG, and WebP formats with quality control for web optimization.
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OpenAI API (developers.openai.com) の運用・管理リファレンス。 Administration API, admin API keys, RBAC, roles, groups, invites, projects, spend limits, audit logs, usage / costs API, Terraform provider (openai/openai), workload identity federation (WIF, OIDC / SPIFFE / X.509 / Idira), moderation API, misalignment monitoring, safety alerts / cases, safety best practices, under-18 guidance, ZDR Private Safety Processing (PSP), production best practices, deployment checklist, cost / latency optimization, fast / ultrafast mode, Realtime API costs。 rate limits・error handling・prompt caching・webhooks は openai-api-core、Codex WIF・管理は openai-codex。
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Provides expert knowledge of JPA entity design, relationship mapping, Flyway migrations, and PostgreSQL-specific optimizations.
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Quantifies biodiversity from species abundance/incidence tables using Hill numbers (iNEXT) with coverage-based rarefaction-extrapolation (Chao & Jost 2012), asymptotic richness via Chao1/ACE/jackknife as a lower bound, Baselga turnover/nestedness partition with the Podani alternative as sensitivity check, mandatory Hellinger transformation before ordination (Legendre & Gallagher 2001), Faith PD and SES_MPD/SES_MNTD with explicit null-model choice, and Maire 2015 functional-diversity dimensionality optimization. Use when comparing diversity across sites with unequal sampling effort, picking the right richness estimator for singleton-heavy amplicon data, partitioning beta diversity into turnover vs nestedness, reporting Hill-number effective species counts rather than raw entropies, computing SES_MPD with explicit null-model justification, or deciding whether to apply standard metrics to compositional amplicon data. Not for clinical 16S microbiome diversity (see microbiome/diversity-analysis).
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Resolve the architecture of focal oncogene amplifications — extrachromosomal DNA (ecDNA), breakage-fusion-bridge (BFB) cycles, homogeneously staining regions (HSR), and linear amplification — from whole-genome sequencing with AmpliconArchitect, the AmpliconSuite pipeline, and AmpliconClassifier. Covers copy-number seed selection, breakpoint-graph reconstruction, balanced-flow optimization, ecDNA classification, and the limits of depth-only amplification calls. Use when a focal amplification needs structural characterization, when distinguishing ecDNA from chromosomal amplification, suspecting ecDNA-driven oncogene amplification or therapy resistance, or selecting copy-number seeds for amplicon reconstruction.
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Performs 3D shape-based similarity searching using ROCS (OpenEye), USRCAT (ultra-fast), Open3DAlign (RDKit), ESPSim (electrostatic), and ShaEP with explicit handling of Tanimoto-Combo (shape + color), shape vs ECFP4 complementarity, conformer-ensemble searching, alignment optimization, and scaffold hopping. Use when searching for shape-mimicking compounds with different scaffolds, identifying bioisosteric replacements, prospective scaffold hopping, or expanding hit series beyond 2D similarity.
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Performs alchemical free-energy calculations including relative binding free energy (RBFE / FEP+) and absolute binding free energy (ABFE) via OpenFE, FEP+, GROMACS, AMBER pmemd, and OpenMM with explicit lambda window scheduling, soft-core potentials, REST2 enhanced sampling, MBAR/BAR analysis, and cycle closure validation. Compares ML alternatives (Boltz-2 affinity, DeepDock). Use when ranking analogs by binding affinity beyond docking accuracy, performing prospective lead optimization, or validating SAR predictions.
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Performs molecular similarity searching using Tanimoto, Tversky, Dice, and cosine coefficients on bit/count fingerprints with explicit choice rules for symmetric vs asymmetric measures, scaffold-hopping vs lead-optimization regimes, activity-cliff diagnosis, and large-library nearest-neighbor methods (BulkTanimoto, Annoy MHFP6, USRCAT). Use when ranking compounds by structural resemblance to a query, clustering libraries, finding analogs, or diagnosing activity cliffs.
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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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Provides comprehensive testing patterns for Spring Boot applications covering unit, integration, slice, and container-based testing with JUnit 5, Mockito, Testcontainers, and performance optimization. Use when writing tests, @Test methods, @MockBean mocks, or implementing test suites for Spring Boot applications.
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JPA/Hibernate patterns for entity design, relationships, query optimization, transactions, auditing, indexing, pagination, and pooling in Spring Boot.
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Use when working with @Transactional, multi-step database operations, distributed transactions, or any code that needs atomicity guarantees. Covers propagation rules, isolation levels, read-only optimization, and common pitfalls.
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