@saibolla/ada 0.1.2
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- package/.ada/SYSTEM.md +81 -0
- package/.ada/agents/researcher.md +69 -0
- package/.ada/agents/reviewer.md +92 -0
- package/.ada/agents/verifier.md +45 -0
- package/.ada/agents/writer.md +54 -0
- package/.ada/settings.json +32 -0
- package/.ada/themes/ada.json +85 -0
- package/.env.example +31 -0
- package/AGENTS.md +79 -0
- package/LICENSE +191 -0
- package/README.md +188 -0
- package/bin/ada.js +26 -0
- package/dist/bootstrap/sync.js +143 -0
- package/dist/cli.js +404 -0
- package/dist/config/paths.js +32 -0
- package/dist/index.js +10 -0
- package/dist/model/catalog.js +255 -0
- package/dist/model/commands.js +180 -0
- package/dist/pi/launch.js +33 -0
- package/dist/pi/package-presets.js +55 -0
- package/dist/pi/runtime.js +81 -0
- package/dist/pi/settings.js +108 -0
- package/dist/pi/web-access.js +74 -0
- package/dist/search/commands.js +12 -0
- package/dist/setup/doctor.js +126 -0
- package/dist/setup/preview.js +117 -0
- package/dist/setup/prompts.js +34 -0
- package/dist/setup/setup.js +98 -0
- package/dist/setup/update.js +133 -0
- package/dist/system/executables.js +38 -0
- package/dist/system/node-version.js +31 -0
- package/dist/system/open-url.js +35 -0
- package/dist/system/promise-polyfill.js +12 -0
- package/dist/ui/terminal.js +64 -0
- package/dist/web/launch.js +48 -0
- package/dist/web-search.js +1 -0
- package/extensions/docparser/constants.ts +62 -0
- package/extensions/docparser/deps.ts +584 -0
- package/extensions/docparser/doctor.ts +353 -0
- package/extensions/docparser/index.ts +9 -0
- package/extensions/docparser/input.ts +230 -0
- package/extensions/docparser/request.ts +67 -0
- package/extensions/docparser/schema.ts +82 -0
- package/extensions/docparser/tool.ts +305 -0
- package/extensions/docparser/types.ts +99 -0
- package/extensions/research-tools/alpha.ts +107 -0
- package/extensions/research-tools/header.ts +284 -0
- package/extensions/research-tools/help.ts +93 -0
- package/extensions/research-tools/project-scaffold.ts +64 -0
- package/extensions/research-tools/project.ts +123 -0
- package/extensions/research-tools/shared.ts +16 -0
- package/extensions/research-tools.ts +42 -0
- package/logo.d.mts +3 -0
- package/logo.mjs +14 -0
- package/metadata/commands.d.mts +46 -0
- package/metadata/commands.mjs +133 -0
- package/package.json +80 -0
- package/prompts/audit.md +17 -0
- package/prompts/autoresearch.md +66 -0
- package/prompts/compare.md +18 -0
- package/prompts/deepresearch.md +189 -0
- package/prompts/draft.md +19 -0
- package/prompts/jobs.md +16 -0
- package/prompts/litreview.md +18 -0
- package/prompts/log.md +14 -0
- package/prompts/replicate.md +24 -0
- package/prompts/review.md +18 -0
- package/prompts/watch.md +16 -0
- package/scripts/build-native-bundle.mjs +349 -0
- package/scripts/check-node-version.mjs +35 -0
- package/scripts/patch-embedded-pi.mjs +588 -0
- package/scripts/prepare-runtime-workspace.mjs +162 -0
- package/scripts/prune-runtime-deps.mjs +131 -0
- package/scripts/release.sh +152 -0
- package/skills/adaptyv/SKILL.md +112 -0
- package/skills/adaptyv/reference/api_reference.md +308 -0
- package/skills/adaptyv/reference/examples.md +913 -0
- package/skills/adaptyv/reference/experiments.md +360 -0
- package/skills/adaptyv/reference/protein_optimization.md +637 -0
- package/skills/aeon/SKILL.md +372 -0
- package/skills/aeon/references/anomaly_detection.md +154 -0
- package/skills/aeon/references/classification.md +144 -0
- package/skills/aeon/references/clustering.md +123 -0
- package/skills/aeon/references/datasets_benchmarking.md +387 -0
- package/skills/aeon/references/distances.md +256 -0
- package/skills/aeon/references/forecasting.md +140 -0
- package/skills/aeon/references/networks.md +289 -0
- package/skills/aeon/references/regression.md +118 -0
- package/skills/aeon/references/segmentation.md +163 -0
- package/skills/aeon/references/similarity_search.md +187 -0
- package/skills/aeon/references/transformations.md +246 -0
- package/skills/alpha-research/SKILL.md +42 -0
- package/skills/alpha-vantage/SKILL.md +142 -0
- package/skills/alpha-vantage/references/commodities.md +153 -0
- package/skills/alpha-vantage/references/economic-indicators.md +158 -0
- package/skills/alpha-vantage/references/forex-crypto.md +154 -0
- package/skills/alpha-vantage/references/fundamentals.md +223 -0
- package/skills/alpha-vantage/references/intelligence.md +138 -0
- package/skills/alpha-vantage/references/options.md +93 -0
- package/skills/alpha-vantage/references/technical-indicators.md +374 -0
- package/skills/alpha-vantage/references/time-series.md +157 -0
- package/skills/alphafold-database/SKILL.md +511 -0
- package/skills/alphafold-database/references/api_reference.md +423 -0
- package/skills/anndata/SKILL.md +398 -0
- package/skills/anndata/references/best_practices.md +525 -0
- package/skills/anndata/references/concatenation.md +396 -0
- package/skills/anndata/references/data_structure.md +314 -0
- package/skills/anndata/references/io_operations.md +404 -0
- package/skills/anndata/references/manipulation.md +516 -0
- package/skills/arboreto/SKILL.md +241 -0
- package/skills/arboreto/references/algorithms.md +138 -0
- package/skills/arboreto/references/basic_inference.md +151 -0
- package/skills/arboreto/references/distributed_computing.md +242 -0
- package/skills/arboreto/scripts/basic_grn_inference.py +97 -0
- package/skills/arxiv-database/SKILL.md +362 -0
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- package/skills/arxiv-database/scripts/arxiv_search.py +414 -0
- package/skills/astropy/SKILL.md +329 -0
- package/skills/astropy/references/coordinates.md +273 -0
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- package/skills/autoresearch/SKILL.md +12 -0
- package/skills/benchling-integration/SKILL.md +478 -0
- package/skills/benchling-integration/references/api_endpoints.md +883 -0
- package/skills/benchling-integration/references/authentication.md +379 -0
- package/skills/benchling-integration/references/sdk_reference.md +774 -0
- package/skills/bgpt-paper-search/SKILL.md +81 -0
- package/skills/bindingdb-database/SKILL.md +332 -0
- package/skills/bindingdb-database/references/affinity_queries.md +178 -0
- package/skills/biopython/SKILL.md +441 -0
- package/skills/biopython/references/advanced.md +577 -0
- package/skills/biopython/references/alignment.md +362 -0
- package/skills/biopython/references/blast.md +455 -0
- package/skills/biopython/references/databases.md +484 -0
- package/skills/biopython/references/phylogenetics.md +566 -0
- package/skills/biopython/references/sequence_io.md +285 -0
- package/skills/biopython/references/structure.md +564 -0
- package/skills/biorxiv-database/SKILL.md +481 -0
- package/skills/biorxiv-database/references/api_reference.md +280 -0
- package/skills/biorxiv-database/scripts/biorxiv_search.py +445 -0
- package/skills/bioservices/SKILL.md +359 -0
- package/skills/bioservices/references/identifier_mapping.md +685 -0
- package/skills/bioservices/references/services_reference.md +636 -0
- package/skills/bioservices/references/workflow_patterns.md +811 -0
- package/skills/bioservices/scripts/batch_id_converter.py +347 -0
- package/skills/bioservices/scripts/compound_cross_reference.py +378 -0
- package/skills/bioservices/scripts/pathway_analysis.py +309 -0
- package/skills/bioservices/scripts/protein_analysis_workflow.py +408 -0
- package/skills/brenda-database/SKILL.md +717 -0
- package/skills/brenda-database/references/api_reference.md +537 -0
- package/skills/brenda-database/scripts/brenda_queries.py +844 -0
- package/skills/brenda-database/scripts/brenda_visualization.py +772 -0
- package/skills/brenda-database/scripts/enzyme_pathway_builder.py +1053 -0
- package/skills/cbioportal-database/SKILL.md +367 -0
- package/skills/cbioportal-database/references/study_exploration.md +128 -0
- package/skills/cellxgene-census/SKILL.md +509 -0
- package/skills/cellxgene-census/references/census_schema.md +182 -0
- package/skills/cellxgene-census/references/common_patterns.md +351 -0
- package/skills/chembl-database/SKILL.md +387 -0
- package/skills/chembl-database/references/api_reference.md +272 -0
- package/skills/chembl-database/scripts/example_queries.py +278 -0
- package/skills/cirq/SKILL.md +344 -0
- package/skills/cirq/references/building.md +307 -0
- package/skills/cirq/references/experiments.md +572 -0
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- package/skills/cirq/references/transformation.md +416 -0
- package/skills/citation-management/SKILL.md +1113 -0
- package/skills/citation-management/assets/bibtex_template.bib +264 -0
- package/skills/citation-management/assets/citation_checklist.md +386 -0
- package/skills/citation-management/references/bibtex_formatting.md +908 -0
- package/skills/citation-management/references/citation_validation.md +794 -0
- package/skills/citation-management/references/google_scholar_search.md +725 -0
- package/skills/citation-management/references/metadata_extraction.md +870 -0
- package/skills/citation-management/references/pubmed_search.md +839 -0
- package/skills/citation-management/scripts/doi_to_bibtex.py +204 -0
- package/skills/citation-management/scripts/extract_metadata.py +569 -0
- package/skills/citation-management/scripts/format_bibtex.py +349 -0
- package/skills/citation-management/scripts/search_google_scholar.py +282 -0
- package/skills/citation-management/scripts/search_pubmed.py +398 -0
- package/skills/citation-management/scripts/validate_citations.py +497 -0
- package/skills/clinical-decision-support/SKILL.md +510 -0
- package/skills/clinical-decision-support/assets/biomarker_report_template.tex +380 -0
- package/skills/clinical-decision-support/assets/clinical_pathway_template.tex +222 -0
- package/skills/clinical-decision-support/assets/cohort_analysis_template.tex +359 -0
- package/skills/clinical-decision-support/assets/color_schemes.tex +149 -0
- package/skills/clinical-decision-support/assets/example_gbm_cohort.md +208 -0
- package/skills/clinical-decision-support/assets/recommendation_strength_guide.md +328 -0
- package/skills/clinical-decision-support/assets/treatment_recommendation_template.tex +529 -0
- package/skills/clinical-decision-support/references/README.md +129 -0
- package/skills/clinical-decision-support/references/biomarker_classification.md +719 -0
- package/skills/clinical-decision-support/references/clinical_decision_algorithms.md +604 -0
- package/skills/clinical-decision-support/references/evidence_synthesis.md +840 -0
- package/skills/clinical-decision-support/references/outcome_analysis.md +640 -0
- package/skills/clinical-decision-support/references/patient_cohort_analysis.md +427 -0
- package/skills/clinical-decision-support/references/treatment_recommendations.md +521 -0
- package/skills/clinical-decision-support/scripts/biomarker_classifier.py +384 -0
- package/skills/clinical-decision-support/scripts/build_decision_tree.py +447 -0
- package/skills/clinical-decision-support/scripts/create_cohort_tables.py +524 -0
- package/skills/clinical-decision-support/scripts/generate_survival_analysis.py +422 -0
- package/skills/clinical-decision-support/scripts/validate_cds_document.py +335 -0
- package/skills/clinical-reports/SKILL.md +1131 -0
- package/skills/clinical-reports/assets/case_report_template.md +352 -0
- package/skills/clinical-reports/assets/clinical_trial_csr_template.md +353 -0
- package/skills/clinical-reports/assets/clinical_trial_sae_template.md +359 -0
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- package/skills/clinical-reports/assets/pathology_report_template.md +249 -0
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- package/skills/clinical-reports/scripts/check_deidentification.py +346 -0
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- package/skills/clinical-reports/scripts/extract_clinical_data.py +102 -0
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- package/skills/clinical-reports/scripts/generate_report_template.py +163 -0
- package/skills/clinical-reports/scripts/terminology_validator.py +133 -0
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- package/skills/clinical-reports/scripts/validate_trial_report.py +89 -0
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- package/skills/clinicaltrials-database/scripts/query_clinicaltrials.py +215 -0
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# Scientific Reporting Standards and Guidelines
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This document catalogs major reporting standards and guidelines across scientific disciplines. When reviewing manuscripts, verify that authors have followed the appropriate guidelines for their study type and discipline.
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## Clinical Trials and Medical Research
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### CONSORT (Consolidated Standards of Reporting Trials)
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**Purpose:** Randomized controlled trials (RCTs)
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- Trial design, participants, and interventions clearly described
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- Primary and secondary outcomes specified
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- Sample size calculation and statistical methods
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- Participant flow through trial (enrollment, allocation, follow-up, analysis)
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- Baseline characteristics of participants
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- Numbers analyzed in each group
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- Outcomes and estimation with confidence intervals
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- Adverse events
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- Trial registration number and protocol access
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**Reference:** http://www.consort-statement.org/
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### STROBE (Strengthening the Reporting of Observational Studies in Epidemiology)
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**Purpose:** Observational studies (cohort, case-control, cross-sectional)
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- Study design clearly stated
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- Setting, eligibility criteria, and participant sources
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- Variables clearly defined
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- Data sources and measurement methods
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- Bias assessment
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- Sample size justification
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- Statistical methods including handling of missing data
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- Participant flow and characteristics
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- Main results with confidence intervals
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**Reference:** https://www.strobe-statement.org/
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### PRISMA (Preferred Reporting Items for Systematic Reviews and Meta-Analyses)
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**Purpose:** Systematic reviews and meta-analyses
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**Key Requirements:**
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- Protocol registration
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- Systematic search strategy across multiple databases
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- Inclusion/exclusion criteria
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- Study selection process
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- Data extraction methods
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- Quality assessment of included studies
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- Statistical methods for meta-analysis
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- Assessment of publication bias
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- Heterogeneity assessment
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**Purpose:** Clinical trial protocols
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- Administrative information (title, registration, funding)
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**Purpose:** Case reports
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## Animal Research
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**Purpose:** Studies involving animal research
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- Housing and husbandry details
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### MINSEQE (Minimum Information about a high-throughput Nucleotide Sequencing Experiment)
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**Purpose:** MRI and fMRI studies
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**Reference:** https://www.humanbrainmapping.org/cobidas
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## Flow Cytometry
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### MIFlowCyt (Minimum Information about a Flow Cytometry Experiment)
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**Purpose:** Flow cytometry experiments
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**Purpose:** Plant phenotyping studies
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**Reference:** https://www.miappe.org/
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### MIRIBEL (Minimum Information Reporting in Bio-Nano Experimental Literature)
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## Quality Assessment and Bias
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### CAMARADES (Collaborative Approach to Meta-Analysis and Review of Animal Data from Experimental Studies)
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**Purpose:** Quality assessment for animal studies in systematic reviews
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**Key Items:**
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### SYRCLE's Risk of Bias Tool
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**Purpose:** Assessing risk of bias in animal intervention studies
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**Domains:**
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- Selection bias (sequence generation, baseline characteristics, allocation concealment)
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- Detection bias (random outcome assessment, blinding of assessors)
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## General Principles Across Guidelines
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### Common Requirements
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1. **Transparency:** All methods, materials, and analyses fully described
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2. **Reproducibility:** Sufficient detail for independent replication
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3. **Data Availability:** Raw data and analysis code shared or deposited
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4. **Registration:** Studies pre-registered where applicable
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5. **Ethics:** Appropriate approvals and consent documented
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6. **Conflicts of Interest:** Disclosed for all authors
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7. **Statistical Rigor:** Methods appropriate and fully described
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8. **Completeness:** All outcomes reported, including negative results
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### Red Flags for Non-Compliance
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- Methods section lacks critical details
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- No mention of following reporting guidelines
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- Sample size not justified
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- Statistical methods inadequately described
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- Missing flow diagrams (CONSORT, PRISMA)
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- Selective reporting of outcomes
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## How to Use This Reference
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When reviewing a manuscript:
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1. Identify the study type and discipline
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2. Find the relevant reporting guideline(s)
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3. Check if authors mention following the guideline
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4. Verify that key requirements are addressed
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5. Note any missing elements in your review
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6. Suggest the appropriate guideline if not mentioned
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Many journals require authors to complete reporting checklists at submission. Reviewers should verify compliance even if a checklist was submitted.
|
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@@ -0,0 +1,224 @@
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---
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name: pennylane
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description: Hardware-agnostic quantum ML framework with automatic differentiation. Use when training quantum circuits via gradients, building hybrid quantum-classical models, or needing device portability across IBM/Google/Rigetti/IonQ. Best for variational algorithms (VQE, QAOA), quantum neural networks, and integration with PyTorch/JAX/TensorFlow. For hardware-specific optimizations use qiskit (IBM) or cirq (Google); for open quantum systems use qutip.
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license: Apache-2.0 license
|
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metadata:
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skill-author: K-Dense Inc.
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---
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# PennyLane
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## Overview
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|
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PennyLane is a quantum computing library that enables training quantum computers like neural networks. It provides automatic differentiation of quantum circuits, device-independent programming, and seamless integration with classical machine learning frameworks.
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|
|
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## Installation
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|
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|
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|
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Install using uv:
|
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|
+
|
|
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|
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```bash
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|
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uv pip install pennylane
|
|
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|
+
```
|
|
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|
+
|
|
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|
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For quantum hardware access, install device plugins:
|
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|
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|
|
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|
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```bash
|
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|
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# IBM Quantum
|
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uv pip install pennylane-qiskit
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|
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|
+
|
|
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# Amazon Braket
|
|
30
|
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uv pip install amazon-braket-pennylane-plugin
|
|
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+
|
|
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|
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# Google Cirq
|
|
33
|
+
uv pip install pennylane-cirq
|
|
34
|
+
|
|
35
|
+
# Rigetti Forest
|
|
36
|
+
uv pip install pennylane-rigetti
|
|
37
|
+
|
|
38
|
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# IonQ
|
|
39
|
+
uv pip install pennylane-ionq
|
|
40
|
+
```
|
|
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|
+
|
|
42
|
+
## Quick Start
|
|
43
|
+
|
|
44
|
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Build a quantum circuit and optimize its parameters:
|
|
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|
+
|
|
46
|
+
```python
|
|
47
|
+
import pennylane as qml
|
|
48
|
+
from pennylane import numpy as np
|
|
49
|
+
|
|
50
|
+
# Create device
|
|
51
|
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dev = qml.device('default.qubit', wires=2)
|
|
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|
+
|
|
53
|
+
# Define quantum circuit
|
|
54
|
+
@qml.qnode(dev)
|
|
55
|
+
def circuit(params):
|
|
56
|
+
qml.RX(params[0], wires=0)
|
|
57
|
+
qml.RY(params[1], wires=1)
|
|
58
|
+
qml.CNOT(wires=[0, 1])
|
|
59
|
+
return qml.expval(qml.PauliZ(0))
|
|
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|
+
|
|
61
|
+
# Optimize parameters
|
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|
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opt = qml.GradientDescentOptimizer(stepsize=0.1)
|
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|
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params = np.array([0.1, 0.2], requires_grad=True)
|
|
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|
+
|
|
65
|
+
for i in range(100):
|
|
66
|
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params = opt.step(circuit, params)
|
|
67
|
+
```
|
|
68
|
+
|
|
69
|
+
## Core Capabilities
|
|
70
|
+
|
|
71
|
+
### 1. Quantum Circuit Construction
|
|
72
|
+
|
|
73
|
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Build circuits with gates, measurements, and state preparation. See `references/quantum_circuits.md` for:
|
|
74
|
+
- Single and multi-qubit gates
|
|
75
|
+
- Controlled operations and conditional logic
|
|
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|
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- Mid-circuit measurements and adaptive circuits
|
|
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|
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- Various measurement types (expectation, probability, samples)
|
|
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|
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- Circuit inspection and debugging
|
|
79
|
+
|
|
80
|
+
### 2. Quantum Machine Learning
|
|
81
|
+
|
|
82
|
+
Create hybrid quantum-classical models. See `references/quantum_ml.md` for:
|
|
83
|
+
- Integration with PyTorch, JAX, TensorFlow
|
|
84
|
+
- Quantum neural networks and variational classifiers
|
|
85
|
+
- Data encoding strategies (angle, amplitude, basis, IQP)
|
|
86
|
+
- Training hybrid models with backpropagation
|
|
87
|
+
- Transfer learning with quantum circuits
|
|
88
|
+
|
|
89
|
+
### 3. Quantum Chemistry
|
|
90
|
+
|
|
91
|
+
Simulate molecules and compute ground state energies. See `references/quantum_chemistry.md` for:
|
|
92
|
+
- Molecular Hamiltonian generation
|
|
93
|
+
- Variational Quantum Eigensolver (VQE)
|
|
94
|
+
- UCCSD ansatz for chemistry
|
|
95
|
+
- Geometry optimization and dissociation curves
|
|
96
|
+
- Molecular property calculations
|
|
97
|
+
|
|
98
|
+
### 4. Device Management
|
|
99
|
+
|
|
100
|
+
Execute on simulators or quantum hardware. See `references/devices_backends.md` for:
|
|
101
|
+
- Built-in simulators (default.qubit, lightning.qubit, default.mixed)
|
|
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|
+
- Hardware plugins (IBM, Amazon Braket, Google, Rigetti, IonQ)
|
|
103
|
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- Device selection and configuration
|
|
104
|
+
- Performance optimization and caching
|
|
105
|
+
- GPU acceleration and JIT compilation
|
|
106
|
+
|
|
107
|
+
### 5. Optimization
|
|
108
|
+
|
|
109
|
+
Train quantum circuits with various optimizers. See `references/optimization.md` for:
|
|
110
|
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- Built-in optimizers (Adam, gradient descent, momentum, RMSProp)
|
|
111
|
+
- Gradient computation methods (backprop, parameter-shift, adjoint)
|
|
112
|
+
- Variational algorithms (VQE, QAOA)
|
|
113
|
+
- Training strategies (learning rate schedules, mini-batches)
|
|
114
|
+
- Handling barren plateaus and local minima
|
|
115
|
+
|
|
116
|
+
### 6. Advanced Features
|
|
117
|
+
|
|
118
|
+
Leverage templates, transforms, and compilation. See `references/advanced_features.md` for:
|
|
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- Circuit templates and layers
|
|
120
|
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- Transforms and circuit optimization
|
|
121
|
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- Pulse-level programming
|
|
122
|
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- Catalyst JIT compilation
|
|
123
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+
- Noise models and error mitigation
|
|
124
|
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- Resource estimation
|
|
125
|
+
|
|
126
|
+
## Common Workflows
|
|
127
|
+
|
|
128
|
+
### Train a Variational Classifier
|
|
129
|
+
|
|
130
|
+
```python
|
|
131
|
+
# 1. Define ansatz
|
|
132
|
+
@qml.qnode(dev)
|
|
133
|
+
def classifier(x, weights):
|
|
134
|
+
# Encode data
|
|
135
|
+
qml.AngleEmbedding(x, wires=range(4))
|
|
136
|
+
|
|
137
|
+
# Variational layers
|
|
138
|
+
qml.StronglyEntanglingLayers(weights, wires=range(4))
|
|
139
|
+
|
|
140
|
+
return qml.expval(qml.PauliZ(0))
|
|
141
|
+
|
|
142
|
+
# 2. Train
|
|
143
|
+
opt = qml.AdamOptimizer(stepsize=0.01)
|
|
144
|
+
weights = np.random.random((3, 4, 3)) # 3 layers, 4 wires
|
|
145
|
+
|
|
146
|
+
for epoch in range(100):
|
|
147
|
+
for x, y in zip(X_train, y_train):
|
|
148
|
+
weights = opt.step(lambda w: (classifier(x, w) - y)**2, weights)
|
|
149
|
+
```
|
|
150
|
+
|
|
151
|
+
### Run VQE for Molecular Ground State
|
|
152
|
+
|
|
153
|
+
```python
|
|
154
|
+
from pennylane import qchem
|
|
155
|
+
|
|
156
|
+
# 1. Build Hamiltonian
|
|
157
|
+
symbols = ['H', 'H']
|
|
158
|
+
coords = np.array([0.0, 0.0, 0.0, 0.0, 0.0, 0.74])
|
|
159
|
+
H, n_qubits = qchem.molecular_hamiltonian(symbols, coords)
|
|
160
|
+
|
|
161
|
+
# 2. Define ansatz
|
|
162
|
+
@qml.qnode(dev)
|
|
163
|
+
def vqe_circuit(params):
|
|
164
|
+
qml.BasisState(qchem.hf_state(2, n_qubits), wires=range(n_qubits))
|
|
165
|
+
qml.UCCSD(params, wires=range(n_qubits))
|
|
166
|
+
return qml.expval(H)
|
|
167
|
+
|
|
168
|
+
# 3. Optimize
|
|
169
|
+
opt = qml.AdamOptimizer(stepsize=0.1)
|
|
170
|
+
params = np.zeros(10, requires_grad=True)
|
|
171
|
+
|
|
172
|
+
for i in range(100):
|
|
173
|
+
params, energy = opt.step_and_cost(vqe_circuit, params)
|
|
174
|
+
print(f"Step {i}: Energy = {energy:.6f} Ha")
|
|
175
|
+
```
|
|
176
|
+
|
|
177
|
+
### Switch Between Devices
|
|
178
|
+
|
|
179
|
+
```python
|
|
180
|
+
# Same circuit, different backends
|
|
181
|
+
circuit_def = lambda dev: qml.qnode(dev)(circuit_function)
|
|
182
|
+
|
|
183
|
+
# Test on simulator
|
|
184
|
+
dev_sim = qml.device('default.qubit', wires=4)
|
|
185
|
+
result_sim = circuit_def(dev_sim)(params)
|
|
186
|
+
|
|
187
|
+
# Run on quantum hardware
|
|
188
|
+
dev_hw = qml.device('qiskit.ibmq', wires=4, backend='ibmq_manila')
|
|
189
|
+
result_hw = circuit_def(dev_hw)(params)
|
|
190
|
+
```
|
|
191
|
+
|
|
192
|
+
## Detailed Documentation
|
|
193
|
+
|
|
194
|
+
For comprehensive coverage of specific topics, consult the reference files:
|
|
195
|
+
|
|
196
|
+
- **Getting started**: `references/getting_started.md` - Installation, basic concepts, first steps
|
|
197
|
+
- **Quantum circuits**: `references/quantum_circuits.md` - Gates, measurements, circuit patterns
|
|
198
|
+
- **Quantum ML**: `references/quantum_ml.md` - Hybrid models, framework integration, QNNs
|
|
199
|
+
- **Quantum chemistry**: `references/quantum_chemistry.md` - VQE, molecular Hamiltonians, chemistry workflows
|
|
200
|
+
- **Devices**: `references/devices_backends.md` - Simulators, hardware plugins, device configuration
|
|
201
|
+
- **Optimization**: `references/optimization.md` - Optimizers, gradients, variational algorithms
|
|
202
|
+
- **Advanced**: `references/advanced_features.md` - Templates, transforms, JIT compilation, noise
|
|
203
|
+
|
|
204
|
+
## Best Practices
|
|
205
|
+
|
|
206
|
+
1. **Start with simulators** - Test on `default.qubit` before deploying to hardware
|
|
207
|
+
2. **Use parameter-shift for hardware** - Backpropagation only works on simulators
|
|
208
|
+
3. **Choose appropriate encodings** - Match data encoding to problem structure
|
|
209
|
+
4. **Initialize carefully** - Use small random values to avoid barren plateaus
|
|
210
|
+
5. **Monitor gradients** - Check for vanishing gradients in deep circuits
|
|
211
|
+
6. **Cache devices** - Reuse device objects to reduce initialization overhead
|
|
212
|
+
7. **Profile circuits** - Use `qml.specs()` to analyze circuit complexity
|
|
213
|
+
8. **Test locally** - Validate on simulators before submitting to hardware
|
|
214
|
+
9. **Use templates** - Leverage built-in templates for common circuit patterns
|
|
215
|
+
10. **Compile when possible** - Use Catalyst JIT for performance-critical code
|
|
216
|
+
|
|
217
|
+
## Resources
|
|
218
|
+
|
|
219
|
+
- Official documentation: https://docs.pennylane.ai
|
|
220
|
+
- Codebook (tutorials): https://pennylane.ai/codebook
|
|
221
|
+
- QML demonstrations: https://pennylane.ai/qml/demonstrations
|
|
222
|
+
- Community forum: https://discuss.pennylane.ai
|
|
223
|
+
- GitHub: https://github.com/PennyLaneAI/pennylane
|
|
224
|
+
|