diff --git a/README.md b/README.md index 407337be848424ea4931a9bb5ebc2cc4b4d24a39..a827ed8a3a4680b7e7b89bd19d93d970a3491483 100644 --- a/README.md +++ b/README.md @@ -29,210 +29,327 @@ experimental_conditions: - minus_leu citation: Mateusiak, C, Erdenebaatar, Z, Jia, E, Plaggenberg, JN, Wang, Y, Shively, C, Liao, G, Mitra, RD, Brent, MR. 2026. Functional synergy partially explains why most transcription factor binding is non-functional. bioRxiv 2026. doi: https://doi.org/10.64898/2026.01.19.700460 +features: +- applies_to: + - genome_map_meta + - annotated_feature_meta + - annotated_feature_combined_meta + fields: + - name: condition + dtype: + class_label: + names: [ + "standard", "rapa", "starvation", "glu_1_gal_1", + "del_MET28", "glu_1_gal_2", "del_FKH2", "del_TYE7" + ] + description: >- + Experimental condition of the sample, including standard growth, rapamycin treatment, + nutrient starvation, mixed carbon source conditions, and gene deletion strains + role: experimental_condition + definitions: + standard: + media: + name: synthetic_complete + carbon_source: + - compound: D-glucose + concentration_percent: 2 + rapa: + perturbation_method: + type: chemical_treatment + compound: rapamycin + description: Rapamycin treatment to inhibit TORC1 signaling + starvation: + description: "Nutrient starvation condition - specific media composition not defined in source" + glu_1_gal_1: + media: + carbon_source: + - compound: D-glucose + concentration_percent: 1 + - compound: D-galactose + concentration_percent: 1 + glu_1_gal_2: + media: + carbon_source: + - compound: D-glucose + concentration_percent: 1 + - compound: D-galactose + concentration_percent: 2 + del_MET28: + genotype: + deletions: + - gene: MET28 + description: MET28 deletion strain + del_FKH2: + genotype: + deletions: + - gene: FKH2 + description: FKH2 deletion strain + del_TYE7: + genotype: + deletions: + - gene: TYE7 + description: TYE7 deletion strain + +- applies_to: + - annotated_feature + - annotated_feature_meta + - genome_map + - genome_map_meta + - annotated_feature_reprocess_yiming + - annotated_feature_reprocess_mindel + fields: + - name: batch + dtype: string + description: Experimental batch identifier for controlling batch effects (partition key) + role: experimental_condition +- applies_to: + - annotated_feature_meta + - annotated_feature_combined_meta + - genome_map_meta + - 2026_analysis_set + fields: + - name: regulator_locus_tag + dtype: string + description: Systematic gene identifier for the transcription factor + role: regulator_identifier + - name: regulator_symbol + dtype: string + description: Standard gene symbol for the transcription factor + role: regulator_identifier +- applies_to: + - annotated_feature + - annotated_feature_combined + - 2026_analysis_set + - annotated_feature_reprocess_yiming + - annotated_feature_reprocess_mindel + fields: + - name: target_locus_tag + dtype: string + description: Systematic gene identifier for the target gene + role: target_identifier + - name: target_symbol + dtype: string + description: Standard gene symbol for the target gene + role: target_identifier + +- applies_to: + - annotated_feature + - annotated_feature_combined + - 2026_analysis_set + - annotated_feature_reprocess_yiming + - annotated_feature_reprocess_mindel + fields: + - name: experiment_hops + dtype: float64 + description: Number of transposon insertion events (hops) at target locus in the experimental sample + role: quantitative_measure + - name: background_hops + dtype: float64 + description: Number of transposon insertion events (hops) at target locus in the background control + role: quantitative_measure + - name: callingcards_enrichment + dtype: float64 + description: Enrichment score calculated as ratio of normalized experimental to background hops + role: quantitative_measure + - name: poisson_pval + dtype: float64 + description: P-value from Poisson test for statistical significance of binding enrichment + role: quantitative_measure + +- applies_to: + - annotated_feature + - annotated_feature_combined + - 2026_analysis_set + fields: + - name: background_total_hops + dtype: float64 + description: Total number of background hops across all loci in the control sample + role: quantitative_measure + - name: experiment_total_hops + dtype: float64 + description: Total number of experimental hops across all loci in the experimental sample + role: quantitative_measure + +- applies_to: + - annotated_feature_reprocess_yiming + - annotated_feature_reprocess_mindel + fields: + - name: total_background_hops + dtype: float64 + description: Total number of background hops across all loci in the control sample + role: quantitative_measure + - name: total_experiment_hops + dtype: float64 + description: Total number of experimental hops across all loci in the experimental sample genomic (not mito) chromosomes + role: quantitative_measure + - name: log_poisson_pval + dtype: float64 + description: Log-transformed Poisson p-value. This has greater numeric resolution for significant loci + role: quantitative_measure + - name: poisson_qval + dtype: float64 + description: FDR-adjusted q-value from Poisson test (multiple testing correction) + role: quantitative_measure + - name: hypergeometric_pval + dtype: float64 + description: P-value from hypergeometric test for statistical significance of binding enrichment + role: quantitative_measure + - name: log_hypergeometric_pval + dtype: float64 + description: Log-transformed hypergeometric p-value + role: quantitative_measure + - name: hypergeometric_qval + dtype: float64 + description: FDR-adjusted q-value from hypergeometric test (multiple testing correction) + role: quantitative_measure + configs: -- config_name: annotated_features - description: Calling Cards transcription factor binding data with enrichment scores and statistical significance +- config_name: annotated_feature + description: >- + This is data that was originally processed through + https://github.com/cmatKhan/callingCardsTools/ and stored (including some more + processing) in https://github.com/cmatKhan/yeastregulatorydb. It is the data that + was used for the QC and filtering decisions in the 2026 modeling paper. In general, + unless you are trying to exactly replicate the 2026 modeling paper, you should use + the 2026_analysis_set for analysis that uses the published results. Or, to use data + that can be reproduced directly from the genome_map data, + `annotated_feature_reprocess_*`. The suffix indicates which promoter set was used + to generate the results from the genome_map data. dataset_type: annotated_features - default: true + genome_resources: + region_sets: + Kang: + path: https://huggingface.co/datasets/BrentLab/yeast_genome_resources/blob/main/yiming_promoters.bed + join_column: target_locus_tag data_files: - split: train - path: annotated_features/*/*.parquet + path: annotated_feature/*/*.parquet dataset_info: features: - name: id - dtype: string + dtype: int64 description: Unique identifier for each binding measurement - - name: regulator_locus_tag - dtype: string - description: Systematic gene name (ORF identifier) of the transcription factor - - name: regulator_symbol - dtype: string - description: Standard gene symbol of the transcription factor - - name: target_locus_tag - dtype: string - description: Systematic gene name (ORF identifier) of the target gene - - name: target_symbol - dtype: string - description: Standard gene symbol of the target gene - - name: experiment_hops - dtype: float64 - description: Number of transposon insertion events (hops) at target locus in experimental sample - - name: background_hops - dtype: float64 - description: Number of transposon insertion events (hops) at target locus in background control - - name: background_total_hops - dtype: float64 - description: Total number of background hops across all loci in the control sample - - name: experiment_total_hops - dtype: float64 - description: Total number of experimental hops across all loci in the experimental sample - - name: callingcards_enrichment - dtype: float64 - description: Enrichment score calculated as ratio of normalized experimental to background hops - - name: poisson_pval - dtype: float64 - description: P-value from Poisson test for statistical significance of binding enrichment - name: hypergeometric_pval dtype: float64 description: P-value from hypergeometric test for statistical significance of binding enrichment - - name: batch - dtype: string - description: Experimental batch identifier for controlling batch effects + role: quantitative_measure -- config_name: annotated_features_meta - description: Metadata for annotated features datasets including regulator informatioand data quality indicators +- config_name: annotated_feature_meta + description: Metadata for the annotated_features dataset. dataset_type: metadata - applies_to: ["annotated_features"] + applies_to: ["annotated_feature"] data_files: - split: train - path: annotated_features_meta.parquet + path: annotated_feature_meta.parquet dataset_info: features: - - name: db_id - dtype: string - description: Database identifier for the dataset - role: experimental_condition - - name: regulator_locus_tag + - name: id + dtype: float64 + description: Unique identifier for the metadata record + role: sample_id + - name: genome_map_id + dtype: float64 + description: >- + Genome map identifier linking to the genome_map and genome_map_meta dataset + role: secondary_sample_id + - name: pss_id dtype: string - description: Systematic identifier for the regulatory factor - role: regulator_identifier - - name: regulator_symbol + description: >- + Identifier from a defunct database (promoter set sig id) + role: secondary_sample_id + - name: binding_id dtype: string - description: Standard symbol for the regulatory factor - role: regulator_identifier + description: >- + Identifier from a defunct database (binding id) + role: secondary_sample_id - name: data_usable dtype: string description: Indicator of whether the data is suitable for analysis - role: experimental_condition - - name: preferred_replicate - dtype: string - description: Boolean indicator for preferred biological replicate - role: experimental_condition - - name: batch - dtype: string - description: Experimental batch identifier - role: experimental_condition - - name: single_binding - dtype: int64 - description: Count or score for single binding events - role: quantitative_measure - - name: composite_binding - dtype: int64 - description: Count or score for composite binding events - role: quantitative_measure - name: analysis_set dtype: bool description: >- TRUE if this record is to be used for analysis. FALSE otherwise. This was determined in 2025. Replicates needed `>=`3k hops and DTO `<=` 0.01 in either kemmeren or hackett - - name: id - dtype: string - description: Unique identifier for the metadata record -- config_name: annotated_features_combined +- config_name: annotated_feature_combined description: >- - Calling Cards replicate data combined at the qbed (genome map) level, with enrichment - and significance called via callingCardsTools. Partitioned by genome_map_id_set, - where each partition corresponds to a set of combined replicate genome maps for - a single regulator. + For the 2026 modeling paper, we labeled replicates passing if it has `>=`3k hops + and DTO `<=` 0.01 in either kemmeren or hackett. For a TF with more than 1 passing + replicate, a combined sample is created by summing the hops across the passing + replicates. This is the data that is used for the 2026 modeling paper as predictors. + It is retained here for replication and transparency, but we do not recommend + using it for new analysis. Instead, to use the published results, use the + `2026_analysis_set` which includes the same combined samples, but also includes + the passing single replicates. Otherwise, the annotated_feature_reprocess_*_analysis + datasets are more directly reproducible from the genome_map data, using a specified + promoter set, and have combined samples using the same logic. dataset_type: annotated_features + genome_resources: + region_sets: + Kang: + path: https://huggingface.co/datasets/BrentLab/yeast_genome_resources/blob/main/yiming_promoters.bed + join_column: target_locus_tag data_files: - split: train - path: annotated_features_combined/*/*.parquet + path: annotated_feature_combined/*/*.parquet dataset_info: partitioning: enabled: true partition_by: ["genome_map_id_set"] - path_template: "annotated_features_combined/genome_map_id_set={genome_map_id_set}/*.parquet" + path_template: "annotated_feature_combined/genome_map_id_set={genome_map_id_set}/*.parquet" features: - name: genome_map_id_set dtype: string description: >- Hyphen-delimited set of genome map IDs corresponding to the combined replicates for this regulator (partition key) - - name: target_locus_tag - dtype: string - description: Systematic gene identifier for the target gene - role: target_identifier - - name: target_symbol - dtype: string - description: Standard gene symbol for the target gene - role: target_identifier - - name: experiment_hops - dtype: float64 - description: Number of transposon insertion events (hops) at target locus in the experimental sample - role: quantitative_measure - - name: background_hops - dtype: float64 - description: Number of transposon insertion events (hops) at target locus in the background control - role: quantitative_measure - - name: background_total_hops - dtype: float64 - description: Total number of background hops across all loci in the control sample - role: quantitative_measure - - name: experiment_total_hops - dtype: float64 - description: Total number of experimental hops across all loci in the experimental sample - role: quantitative_measure - - name: callingcards_enrichment - dtype: float64 - description: Enrichment score calculated as ratio of normalized experimental to background hops - role: quantitative_measure - - name: poisson_pval - dtype: float64 - description: P-value from Poisson test for statistical significance of binding enrichment - role: quantitative_measure - name: hypergeometric_pval dtype: float64 description: P-value from hypergeometric test for statistical significance of binding enrichment role: quantitative_measure -- config_name: annotated_features_combined_meta - description: Sample-level metadata for combined Calling Cards experiments including regulator information, QC flags, and experimental conditions +- config_name: annotated_feature_combined_meta + description: Metadata for the annotated_feature_combined dataset. dataset_type: metadata - applies_to: ["annotated_features_combined"] + applies_to: ["annotated_feature_combined"] data_files: - split: train - path: annotated_features_combined_meta.parquet + path: annotated_feature_combined_meta.parquet dataset_info: features: - name: genome_map_id_set dtype: string - description: Hyphen-delimited set of genome map IDs used as the partition key in annotated_features_combined + description: Hyphen-delimited set of genome map IDs used as the partition key in annotated_feature_combined - name: pss_id dtype: string description: Passing sample set identifier grouping replicates used in this combined analysis - name: binding_id dtype: string description: Unique identifier for this combined binding measurement record - - name: regulator_locus_tag - dtype: string - description: Systematic gene identifier for the transcription factor - role: regulator_identifier - - name: regulator_symbol - dtype: string - description: Standard gene symbol for the transcription factor - role: regulator_identifier - - name: batch - dtype: string - description: Experimental batch identifier for controlling batch effects - name: analysis_set dtype: bool description: >- For a TF with more than 1 passing replicate, a combined samples is created. This is based on the QC done in 2025 for the modeling paper. See the - annotated_features_meta for more details - - name: condition - dtype: string - description: Experimental condition for this sample - role: experimental_condition + annotated_feature_meta for more details - config_name: 2026_analysis_set description: >- - This is a combination of the combined annotated_features_combined dataset, and the - passing single replicates from the annotated_features dataset. This is the data - that is used for the 2026 modeling paper as predictors + This dataset is the dataset that was used in the 2026 modeling paper. A passing + replicate has >=3000 hops had a dto empirical pvalue < 0.01 against either + kemmeren or hackett. Where a given regulator had multiple passing replicates, + those replicates were combined (see annotated_feature_combined). This dataset + should be used when you want to use the published results from the 2026 modeling + paper. If you want to use data that can be reproduced directly from the genome_map + data included in this repo, especially when called against different promoter + sets, then use the annotated_feature_reprocess_*_analysis datasets. + default: true + genome_resources: + region_sets: + Kang: + path: https://huggingface.co/datasets/BrentLab/yeast_genome_resources/blob/main/yiming_promoters.bed + join_column: target_locus_tag dataset_type: annotated_features metadata_fields: ["gm_id","regulator_locus_tag","regulator_symbol", "experiment_total_hops", "background_total_hops"] data_files: @@ -246,41 +363,11 @@ configs: genome_map id. If the sample is a combination of multiple samples, then it is a hyphen-delimited set of genome map IDs corresponding to the combined replicates for this regulator. - - name: target_locus_tag - dtype: string - description: Systematic gene identifier for the target gene - role: target_identifier - - name: target_symbol - dtype: string - description: Standard gene symbol for the target gene - role: target_identifier - - name: experiment_hops - dtype: float64 - description: Number of transposon insertion events (hops) at target locus in the experimental sample - role: quantitative_measure - - name: background_hops - dtype: float64 - description: Number of transposon insertion events (hops) at target locus in the background control - role: quantitative_measure - - name: background_total_hops - dtype: float64 - description: Total number of background hops across all loci in the control sample - role: quantitative_measure - - name: experiment_total_hops - dtype: float64 - description: Total number of experimental hops across all loci in the experimental sample - role: quantitative_measure - - name: callingcards_enrichment - dtype: float64 - description: Enrichment score calculated as ratio of normalized experimental to background hops - role: quantitative_measure - - name: poisson_pval - dtype: float64 - description: P-value from Poisson test for statistical significance of binding enrichment - role: quantitative_measure - config_name: genome_map - description: Genome-wide calling cards insertion density data partitioned by batch + description: >- + This is the raw binding data (qbeds) from the nf-core/callingcards pipeline. It + can be processed into annotated_feature datasets suing the scripts/quantify_regions.R script. You can use your own promoter definitions (bed format) to do this, or those provided in BrentLab/yeast_genome_resources dataset_type: genome_map data_files: - split: train @@ -288,26 +375,24 @@ configs: dataset_info: features: - name: id - dtype: string + dtype: int64 description: Unique identifier for each genomic interval + role: sample_id - name: chr dtype: string description: Chromosome name (e.g., chrI, chrII, etc.) - name: start - dtype: float64 + dtype: int64 description: Start position of genomic interval - name: end - dtype: float64 + dtype: int64 description: End position of genomic interval - name: depth - dtype: float64 + dtype: int64 description: Number of transposon insertion events (read depth) in this genomic interval - name: strand dtype: string description: Strand information (+ or -) for the genomic interval - - name: batch - dtype: string - description: Experimental batch identifier partitioning: enabled: true partition_by: ["batch"] @@ -316,304 +401,158 @@ configs: - config_name: genome_map_meta description: Metadata for genome map datasets including regulator information and experimental details dataset_type: metadata - applies_to: ["genome_map", "annotated_features_orig_reprocess"] + applies_to: ["genome_map", "annotated_feature_reprocess_yiming", "annotated_feature_reprocess_mindel"] data_files: - split: train path: genome_map_meta.parquet dataset_info: features: - name: id - dtype: string + dtype: float64 description: Unique identifier for the metadata record - name: binding_id dtype: string description: current django managed database identifier for the dataset to the 'binding' table - - name: regulator_locus_tag - dtype: string - description: Systematic identifier for the regulatory factor - role: regulator_identifier - - name: regulator_symbol - dtype: string - description: Standard symbol for the regulatory factor - role: regulator_identifier - - name: batch - dtype: string - description: Experimental batch identifier - role: experimental_condition - name: replicate - dtype: int64 + dtype: float64 description: Biological replicate number, within batch - name: notes dtype: string description: Additional notes or comments about the experiment - - name: condition - dtype: - class_label: - names: [ - "standard", "rapa", "starvation", "glu_1_gal_1", - "del_MET28", "glu_1_gal_2", "del_FKH2", "del_TYE7" - ] - description: >- - Experimental condition of the sample, including standard growth, rapamycin treatment, - nutrient starvation, mixed carbon source conditions, and gene deletion strains - role: experimental_condition - definitions: - standard: - media: - name: synthetic_complete - carbon_source: - - compound: D-glucose - concentration_percent: 2 - rapa: - perturbation_method: - type: chemical_treatment - compound: rapamycin - description: Rapamycin treatment to inhibit TORC1 signaling - starvation: - description: "Nutrient starvation condition - specific media composition not defined in source" - glu_1_gal_1: - media: - carbon_source: - - compound: D-glucose - concentration_percent: 1 - - compound: D-galactose - concentration_percent: 1 - glu_1_gal_2: - media: - carbon_source: - - compound: D-glucose - concentration_percent: 1 - - compound: D-galactose - concentration_percent: 2 - del_MET28: - genotype: - deletions: - - gene: MET28 - description: MET28 deletion strain - del_FKH2: - genotype: - deletions: - - gene: FKH2 - description: FKH2 deletion strain - del_TYE7: - genotype: - deletions: - - gene: TYE7 - description: TYE7 deletion strain - -- config_name: annotated_features_orig_reprocess + +- config_name: annotated_feature_reprocess_yiming description: >- - Calling Cards annotated features reprocessed from the original qbed genome maps - using scripts/quantify_regions.R. Each record corresponds to a single genome map - (replicate-level), where the id field links to genome_map_meta. Includes log-transformed - p-values and FDR-adjusted q-values not present in the original annotated_features_combined. + Calling Cards annotated features reprocessed from the genome_map data + using scripts/quantify_regions.R against the yiming promoters in + BrentLab/yeast_genome_resources. This is very nearly exactly the same as + annotated_features, though there may be some differences around the boundaries + (intentional), and this includes higher numeric resolution in the most significant + promoters by using hte log argument in the poisson distribution function. dataset_type: annotated_features data_files: - split: train - path: annotated_features_orig_reprocess/*/*.parquet + path: annotated_feature_reprocess_yiming/*/*.parquet + genome_resources: + region_sets: + Kang: + path: https://huggingface.co/datasets/BrentLab/yeast_genome_resources/blob/main/yiming_promoters.bed + join_column: target_locus_tag dataset_info: features: - name: id dtype: int64 - description: Genome map identifier linking to the genome_map and genome_map_meta dataset - - name: target_locus_tag - dtype: string - description: Systematic gene identifier for the target gene - role: target_identifier - - name: target_symbol - dtype: string - description: Standard gene symbol for the target gene - role: target_identifier - - name: experiment_hops - dtype: float64 - description: Number of transposon insertion events (hops) at target locus in the experimental sample - role: quantitative_measure - - name: background_hops - dtype: float64 - description: Number of transposon insertion events (hops) at target locus in the background control - role: quantitative_measure - - name: total_background_hops - dtype: float64 - description: Total number of background hops across all loci in the control sample - role: quantitative_measure - - name: total_experiment_hops - dtype: float64 - description: Total number of experimental hops across all loci in the experimental sample genomic (not mito) chromosomes - role: quantitative_measure - - name: callingcards_enrichment - dtype: float64 - description: Enrichment score calculated as ratio of normalized experimental to background hops - role: quantitative_measure - - name: poisson_pval - dtype: float64 - description: P-value from Poisson test for statistical significance of binding enrichment - role: quantitative_measure - - name: log_poisson_pval - dtype: float64 - description: Log-transformed Poisson p-value. This has greater numeric resolution for significant loci - role: quantitative_measure - - name: poisson_qval - dtype: float64 - description: FDR-adjusted q-value from Poisson test (multiple testing correction) - role: quantitative_measure - - name: hypergeometric_pval - dtype: float64 - description: P-value from hypergeometric test for statistical significance of binding enrichment - role: quantitative_measure - - name: log_hypergeometric_pval - dtype: float64 - description: Log-transformed hypergeometric p-value - role: quantitative_measure - - name: hypergeometric_qval - dtype: float64 - description: FDR-adjusted q-value from hypergeometric test (multiple testing correction) - role: quantitative_measure - - name: batch - dtype: string - description: Experimental batch identifier for controlling batch effects (parition key) + description: >- + Genome map identifier linking to the genome_map and genome_map_meta dataset + +- config_name: annotated_feature_reprocess_mindel + description: >- + This is the genome_map data quantified against the Mindel promoters + (see BrentLab/yeast_genome_resources) using scripts/quantify_regions.R. + dataset_type: annotated_features + data_files: + - split: train + path: annotated_feature_reprocess_mindel/*/*.parquet + genome_resources: + region_sets: + Mindel: + path: https://huggingface.co/datasets/BrentLab/yeast_genome_resources/blob/main/mindel_promoters.csv.gz + join_column: target_locus_tag + dataset_info: + features: + - name: genome_map_id + dtype: int64 + description: >- + Genome map identifier linking to the genome_map and genome_map_meta dataset --- # Calling Cards -This is data produced in both the Brent Lab and Mitra Lab at Washington University +This is data produced in both the Brent Lab and Mitra Lab at Washington University. + +## Accessing Data -This repo provides 2 dataset and associated metadata: +The examples below require +[labretriever](https://github.com/cmatKhan/labretriever#installation) +(`pip install labretriever`) and/or the +[HuggingFace Hub client](https://huggingface.co/docs/huggingface_hub/installation) +(`pip install huggingface_hub`). -- **annotated_features**: This data scores promoter regions associated with the nearest gene -- **genome_map**: The binding location data in qbed format +### Accessing Data with labretriever -In the annotated features, in order to get the analysis set (you can use duckdb directory instead -of `tfbpapi` -- see the usage section below): +This repository is part of a collection configured as a unified database using +[labretriever.VirtualDB](https://cmatkhan.github.io/labretriever/virtual_db_configuration/). +Download the +[collection config](https://github.com/BrentLab/tfbpshiny/blob/main/tfbpshiny/brentlab_yeast_collection.yaml) +and use it to query the data directly in Python, or with an AI assistant using the +[labretriever plugin](https://cmatkhan.github.io/labretriever/mcp_server/#quick-install-claude-code-plugin). ```python -import pandas as pd -from tfbpapi.HfQueryAPI import HfQueryAPI +from labretriever.virtual_db import VirtualDB +from labretriever.datacard import DataCard -# Initialize the Hugging Face query API with the calling cards dataset -callingcards_hf = HfQueryAPI( - repo_id="BrentLab/callingcards", - repo_type="dataset" -) +# Citation and metadata +card = DataCard("BrentLab/callingcards") +print([c.config_name for c in card.configs]) # list available datasets -# Set a filter to only include records where data quality passes QC -callingcards_hf.set_filter("annotated_features", data_usable="pass") +# print citation +info = card.info() +print(info["citation"]) -# Query all columns from the annotated_features table -# Returns the data as a pandas DataFrame -callingcards_data = callingcards_hf.query( - "SELECT * FROM annotated_features", - "annotated_features" -) +# path to the downloaded brentlab_yeast_collection.yaml +vdb = VirtualDB("/path/to/brentlab_yeast_collection.yaml") -analysis_data = ( - callingcards_data - .assign( - # Create a flag: does this regulator have any composite binding? - has_composite = lambda df: df.groupby('regulator_locus_tag')['composite_binding'] - .transform(lambda x: x.notna().any()) - ) - .query( - # If composite exists for this regulator, require composite to be non-null - # Otherwise, require single_binding to be non-null - '(has_composite & composite_binding.notna()) | ' - '(~has_composite & single_binding.notna())' - ) - .drop(columns=['has_composite']) # Remove the helper column -) +print(vdb.get_dataset_description("callingcards")) +vdb.query("SELECT * FROM callingcards LIMIT 5") ``` -## Usage +### Direct parquet access -The python package `tfbpapi` provides an interface to this data which eases -examining the datasets, field definitions and other operations. You may also -download the parquet datasets directly from hugging face by clicking on -"Files and Versions", or by using the huggingface_cli and duckdb directly. -In both cases, this provides a method of retrieving dataset and field definitions. +The repository contains more data than what is exposed through the collection +configuration. Use `DataCard.info()` to inspect available files, then download +and query with DuckDB. -### `tfbpapi` +Some files are single parquet files (e.g. metadata files); others are +partitioned datasets. Download a metadata file first to identify relevant +partitions before fetching the full data. -After [installing -tfbpapi](https://github.com/BrentLab/tfbpapi/?tab=readme-ov-file#installation), you can -adapt this [tutorial](https://brentlab.github.io/tfbpapi/tutorials/hfqueryapi_tutorial/) -in order to explore the contents of this repository. - -### huggingface_cli/duckdb - -You can retrieves and displays the file paths for each configuration of -the "BrentLab/callingcards" dataset from Hugging Face Hub. - -```python -from huggingface_hub import ModelCard -from pprint import pprint - -card = ModelCard.load("BrentLab/callingcards", repo_type="dataset") - -# cast to dict -card_dict = card.data.to_dict() - -# Get partition information -dataset_paths_dict = {d.get("config_name"): d.get("data_files")[0].get("path") for d in card_dict.get("configs")} - -pprint(dataset_paths_dict) -``` - -The entire repository is large. It may be preferable to only retrieve -specific files or partitions. You can use the metadata files to choose -which files to pull. +Single parquet file example: ```python from huggingface_hub import snapshot_download import duckdb -import os -# Download only the metadata first + repo_path = snapshot_download( repo_id="BrentLab/callingcards", repo_type="dataset", - allow_patterns="annotated_features_meta.parquet" + allow_patterns="annotated_feature_meta.parquet", ) - -dataset_path = os.path.join(repo_path, "annotated_features_meta.parquet") conn = duckdb.connect() -meta_res = conn.execute("SELECT * FROM read_parquet(?) LIMIT 10", [dataset_path]).df() -print(meta_res) +# returns a pandas DataFrame with the first 5 rows +conn.execute( + "SELECT * FROM read_parquet(?) LIMIT 5", + [f"{repo_path}/annotated_feature_meta.parquet"], +).df() ``` -We might choose to take a look at the file with id = 1: +Partitioned dataset example (the `annotated_feature` directory): ```python -# Download only a specific sample's genome coverage data repo_path = snapshot_download( repo_id="BrentLab/callingcards", repo_type="dataset", - allow_patterns="annotated_features/id=1/*.parquet" + allow_patterns="annotated_feature/**", ) - -# Query the specific partition -dataset_path = os.path.join(repo_path, "annotated_features") -result = conn.execute("SELECT * FROM read_parquet(?) LIMIT 10", - [f"{dataset_path}/**/*.parquet"]).df() -print(result) +conn.execute( + "SELECT * FROM read_parquet(?) LIMIT 5", + [f"{repo_path}/annotated_feature/**/*.parquet"], +).df() ``` -If you wish to pull the entire repo, due to its size you may need to use an -[authentication token](https://huggingface.co/docs/hub/en/security-tokens). -If you do not have one, try omitting the token related code below and see if -it works. Else, create a token and provide it like so: +### Accessing using R -```python - -repo_id = "BrentLab/callingcards" - -hf_token = os.getenv("HF_TOKEN") +Clone the repository and read parquet files directly with +[arrow](https://arrow.apache.org/docs/r/): -# Download entire repo to local directory -repo_path = snapshot_download( - repo_id=repo_id, - repo_type="dataset", - token=hf_token -) - -print(f"\n✓ Repository downloaded to: {repo_path}") - -# Construct path to the annotated_features_meta parquet file -parquet_path = os.path.join(repo_path, "annotated_features_meta.parquet") -print(f"✓ Parquet file at: {parquet_path}") +```r +# install.packages("arrow") +arrow::read_parquet("annotated_feature_meta.parquet") +``` diff --git a/annotated_features/batch=CS002/part-0.parquet b/annotated_feature/batch=CS002/part-0.parquet similarity index 100% rename from annotated_features/batch=CS002/part-0.parquet rename to annotated_feature/batch=CS002/part-0.parquet diff --git 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annotated_features_orig_reprocess/batch=run_7489/part-0.parquet rename to annotated_feature_reprocess_yiming/batch=run_7489/part-0.parquet diff --git a/annotated_features_combined_meta.parquet b/annotated_features_combined_meta.parquet deleted file mode 100644 index 68aa2390252d6a5b324ee5ac2b8833a00c7a8969..0000000000000000000000000000000000000000 --- a/annotated_features_combined_meta.parquet +++ /dev/null @@ -1,3 +0,0 @@ -version https://git-lfs.github.com/spec/v1 -oid sha256:4a524b6e621e0b027bdca9c942ca639368f14618bb093ea4e27fb9dbeb9b29ad -size 6642 diff --git a/scripts/quantify_regions.R b/scripts/quantify_regions.R index 9487de3af6c12bd72eb0cbbac40ba35a3cdb23d6..12ccd216a0f30b60b26028da86b75c34993e58bc 100644 --- a/scripts/quantify_regions.R +++ b/scripts/quantify_regions.R @@ -444,7 +444,7 @@ max_gm_id = max(genome_map_replicate_meta$id) rs_rl_map = dplyr::select(genomic_features, regulator_locus_tag = locus_tag, - regulator_symbol = symbol) %>% + regulator_symbol = symbol) |> filter(regulator_symbol %in% c("MED2", "XBP1", "UME1", "RPH1")) @@ -458,42 +458,42 @@ run_7489_qbed = list.files("~/htcf_local/cc/yeast/results/run_7489/hops", run_7489_qbed = run_7489_qbed[str_detect(run_7489_qbed, "undetermined", negate=TRUE)] new_metadata = read_tsv("~/htcf_local/cc/yeast/data/run_7488/JP094_barcodes.txt", - col_names = c("regulator", "bc1", "bc2")) %>% - mutate(condition = ifelse(str_detect(regulator, "∆"), "del_MSN2", "standard")) %>% - mutate(regulator_symbol = str_remove(regulator, "∆.*")) %>% - mutate(batch = "run_7488") %>% + col_names = c("regulator", "bc1", "bc2")) |> + mutate(condition = ifelse(str_detect(regulator, "∆"), "del_MSN2", "standard")) |> + mutate(regulator_symbol = str_remove(regulator, "∆.*")) |> + mutate(batch = "run_7488") |> bind_rows( read_tsv("~/htcf_local/cc/yeast/data/run_7489/JP095_barcodes.txt", - col_names = c("regulator", "bc1", "bc2")) %>% - mutate(condition = ifelse(str_detect(regulator, "∆"), "del_MSN2", "standard")) %>% - mutate(regulator_symbol = str_remove(regulator, "∆.*")) %>% - mutate(batch = "run_7489")) %>% - mutate(binding_id = "NA") %>% - left_join(rs_rl_map) %>% + col_names = c("regulator", "bc1", "bc2")) |> + mutate(condition = ifelse(str_detect(regulator, "∆"), "del_MSN2", "standard")) |> + mutate(regulator_symbol = str_remove(regulator, "∆.*")) |> + mutate(batch = "run_7489")) |> + mutate(binding_id = "NA") |> + left_join(rs_rl_map) |> mutate(replicate = 1, - notes = "none") %>% + notes = "none") |> # missing qbed, maybe barcode issue? - filter(!(batch=="run_7488" & regulator_symbol == "XBP1" & condition == "standard")) %>% - mutate(id = max_gm_id + row_number()) %>% + filter(!(batch=="run_7488" & regulator_symbol == "XBP1" & condition == "standard")) |> + mutate(id = max_gm_id + row_number()) |> dplyr::select(id, binding_id, regulator_locus_tag, regulator_symbol, - batch, replicate, notes, condition) %>% + batch, replicate, notes, condition) |> left_join( - tibble(qbed = c(run_7488_qbed, run_7489_qbed)) %>% - mutate(batch = str_extract(basename(qbed), "run_\\d+")) %>% - mutate(condition = ifelse(str_detect(basename(qbed), "del"), "del_MSN2", "standard")) %>% - mutate(regulator_symbol = str_remove_all(basename(qbed), "run_\\d+_|del.*|.qbed")) %>% + tibble(qbed = c(run_7488_qbed, run_7489_qbed)) |> + mutate(batch = str_extract(basename(qbed), "run_\\d+")) |> + mutate(condition = ifelse(str_detect(basename(qbed), "del"), "del_MSN2", "standard")) |> + mutate(regulator_symbol = str_remove_all(basename(qbed), "run_\\d+_|del.*|.qbed")) |> filter(regulator_symbol != "undetermined") ) new_data = map(c(run_7488_qbed, run_7489_qbed), ~{ in_path = . - read_tsv(in_path) %>% - mutate(chr = paste0("chr", chr)) %>% - mutate(chr = ifelse(chr=="chrMT", "chrM", chr)) %>% - mutate(qbed = in_path) %>% - left_join(dplyr::select(new_metadata, qbed, id, batch)) %>% + read_tsv(in_path) |> + mutate(chr = paste0("chr", chr)) |> + mutate(chr = ifelse(chr=="chrMT", "chrM", chr)) |> + mutate(qbed = in_path) |> + left_join(dplyr::select(new_metadata, qbed, id, batch)) |> dplyr::select(id, chr, start, end, depth, strand, batch) -}) %>% +}) |> bind_rows() # arrow::write_dataset( @@ -509,7 +509,7 @@ new_data = map(c(run_7488_qbed, run_7489_qbed), ~{ # ) # ) -genome_map_replicate_meta_new = genome_map_replicate_meta %>% +genome_map_replicate_meta_new = genome_map_replicate_meta |> bind_rows(dplyr::select(new_metadata, -qbed)) # arrow::write_parquet(genome_map_replicate_meta_new, @@ -519,31 +519,31 @@ genome_map_replicate_meta_new = genome_map_replicate_meta %>% # Uncomment and modify for your actual data genome_map_replicate_ds = arrow::open_dataset("~/code/hf/callingcards/genome_map", - unify_schemas = TRUE) %>% + unify_schemas = TRUE) |> filter(batch %in% c("run_7488", "run_7489")) -genome_map_replicate_meta = arrow::read_parquet("~/code/hf/callingcards/genome_map_meta.parquet") %>% +genome_map_replicate_meta = arrow::read_parquet("~/code/hf/callingcards/genome_map_meta.parquet") |> filter(batch %in% c("run_7488", "run_7489")) -background_gr <- read_tsv("~/code/hf/callingcards/adh1_background_ucsc.qbed") %>% +background_gr <- read_tsv("~/code/hf/callingcards/adh1_background_ucsc.qbed") |> mutate(id = "adh1_bg", - score = scales::rescale(depth, to = c(1,1000))) %>% - dplyr::select(chr, start, end, id, score, strand) %>% + score = scales::rescale(depth, to = c(1,1000))) |> + dplyr::select(chr, start, end, id, score, strand) |> bed_to_granges() regions_gr <- read_tsv("~/code/hf/yeast_genome_resources/yiming_promoters.bed", - col_names = c('chr', 'start', 'end', 'locus_tag', 'score', 'strand')) %>% + col_names = c('chr', 'start', 'end', 'locus_tag', 'score', 'strand')) |> bed_to_granges() # # Run analysis with deduplication (default for calling cards) results_replicates = map(genome_map_replicate_meta$id, ~{ enrichment_analysis( - experiment_gr = genome_map_replicate_ds %>% - filter(id == .x) %>% - collect() %>% - dplyr::rename(score = depth) %>% - relocate(chr, start, end, id, score, strand) %>% - mutate(depth = scales::rescale(score, to = c(1,1000))) %>% + experiment_gr = genome_map_replicate_ds |> + filter(id == .x) |> + collect() |> + dplyr::rename(score = depth) |> + relocate(chr, start, end, id, score, strand) |> + mutate(depth = scales::rescale(score, to = c(1,1000))) |> bed_to_granges(), background_gr = background_gr, regions_gr = regions_gr, @@ -553,12 +553,12 @@ results_replicates = map(genome_map_replicate_meta$id, ~{ }) names(results_replicates) = genome_map_replicate_meta$id -results_replicates_df = bind_rows(map(results_replicates, as_tibble), .id = "id") %>% - mutate(id = as.integer(id)) %>% - left_join(select(genomic_features, locus_tag, symbol)) %>% +results_replicates_df = bind_rows(map(results_replicates, as_tibble), .id = "id") |> + mutate(id = as.integer(id)) |> + left_join(select(genomic_features, locus_tag, symbol)) |> dplyr::rename(target_locus_tag = locus_tag, - target_symbol = symbol) %>% - left_join(genome_map_replicate_meta) %>% + target_symbol = symbol) |> + left_join(genome_map_replicate_meta) |> select(id, batch, target_locus_tag, target_symbol, experiment_hops, background_hops, total_background_hops, total_experiment_hops, @@ -587,27 +587,89 @@ results_replicates_df = bind_rows(map(results_replicates, as_tibble), .id = "id" # this from now on. If you need to compare or doubt something, please let # me know # -# experiment_gr = arrow::read_parquet("~/code/hf/callingcards/genome_map/batch=run_5801/part-0.parquet") %>% -# filter(id == 707) %>% -# dplyr::rename(score = depth) %>% -# relocate(chr, start, end, id, score, strand) %>% -# mutate(depth = scales::rescale(score, to = c(1,1000))) %>% +# experiment_gr = arrow::read_parquet("~/code/hf/callingcards/genome_map/batch=run_5801/part-0.parquet") |> +# filter(id == 707) |> +# dplyr::rename(score = depth) |> +# relocate(chr, start, end, id, score, strand) |> +# mutate(depth = scales::rescale(score, to = c(1,1000))) |> # bed_to_granges() # -# curr_db_annotated_feature = arrow::read_parquet("~/code/hf/callingcards/annotated_features/batch=run_5801/part-0.parquet") %>% +# curr_db_annotated_feature = arrow::read_parquet("~/code/hf/callingcards/annotated_features/batch=run_5801/part-0.parquet") |> # filter(id == 9) # -# comp_df = curr_db_annotated_feature %>% +# comp_df = curr_db_annotated_feature |> # select(target_locus_tag, experiment_hops, # background_hops, background_total_hops, -# experiment_total_hops) %>% -# left_join(results %>% -# as_tibble() %>% +# experiment_total_hops) |> +# left_join(results |> +# as_tibble() |> # select(locus_tag, total_background_hops, # total_experiment_hops, -# experiment_hops, background_hops) %>% +# experiment_hops, background_hops) |> # dplyr::rename(target_locus_tag = locus_tag, # new_exp_hops = experiment_hops, # new_bg_hops = background_hops, # new_bg_total = total_background_hops, # new_expr_total = total_experiment_hops)) + +# Quantifying over another promoter set + +genomic_features = arrow::read_parquet("~/code/hf/yeast_genome_resources/brentlab_features.parquet") + +genome_map_replicate_ds = arrow::open_dataset("~/code/hf/callingcards/genome_map", unify_schemas = TRUE) +genome_map_replicate_meta = arrow::read_parquet("~/code/hf/callingcards/genome_map_meta.parquet") + +background_gr <- read_tsv("~/code/hf/callingcards/adh1_background_ucsc.qbed") |> + mutate(id = "adh1_bg", + score = scales::rescale(depth, to = c(1,1000))) |> + dplyr::select(chr, start, end, id, score, strand) |> + bed_to_granges() + +regions_gr <- arrow::read_parquet("~/code/hf/yeast_genome_resources/mindel_promoters.parquet") |> + bed_to_granges() + +regions_gr <- regions_gr[!is.na(regions_gr$target_locus_tag)] + + +# # Run analysis with deduplication (default for calling cards) +results_replicates = map(genome_map_replicate_meta$id, ~{ + enrichment_analysis( + experiment_gr = genome_map_replicate_ds |> + filter(id == .x) |> + collect() |> + dplyr::rename(score = depth) |> + relocate(chr, start, end, id, score, strand) |> + mutate(depth = scales::rescale(score, to = c(1,1000))) |> + bed_to_granges(), + background_gr = background_gr, + regions_gr = regions_gr, + deduplicate_experiment = TRUE, + pseudocount = 0.1 + ) +}) +names(results_replicates) = genome_map_replicate_meta$id + +results_replicates_df = bind_rows(map(results_replicates, as_tibble), .id = "genome_map_id") |> + mutate(genome_map_id = as.integer(genome_map_id)) |> + left_join(genome_map_replicate_meta, + by = c("genome_map_id" = "id")) |> + select(genome_map_id, batch, + target_locus_tag, target_symbol, experiment_hops, background_hops, + total_background_hops, total_experiment_hops, + callingcards_enrichment, + poisson_pval, log_poisson_pval, poisson_qval, + hypergeometric_pval, log_hypergeometric_pval, hypergeometric_qval) |> + mutate(genome_map_id = as.integer(genome_map_id)) + +# arrow::write_dataset( +# results_replicates_df, +# path = "/home/chase/code/hf/callingcards/annotated_feature_reprocess_mindel", +# format = "parquet", +# partitioning = c("batch"), +# existing_data_behavior = "overwrite", +# compression = "zstd", +# write_statistics = TRUE, +# use_dictionary = c( +# genome_map_id = TRUE +# ) +# )