build

Coderdata build process

All data collected for this package has been collated from stable/reproducible sources using the scripts contained here. The figure below shows a brief description of the process, which is designed to be run serially, as new identifiers are generated as data are added.

build_all.py script

This script initializes all docker containers, builds all datasets, validates them, and uploads them to figshare and pypi.

It requires the following authorization tokens to be set in the local environment depending on the use case:
SYNAPSE_AUTH_TOKEN: Required for beataml and mpnst datasets. Join the CoderData team on Synapse and generate an access token.
PYPI_TOKEN: This token is required to upload to PyPI.
FIGSHARE_TOKEN: This token is required to upload to Figshare.
GITHUB_TOKEN: This token is required to upload to GitHub.

Available arguments:

• --docker: Initializes and builds all docker containers.
• --samples: Processes and builds the sample data files.
• --omics: Processes and builds the omics data files.
• --drugs: Processes and builds the drug data files.
• --exp: Processes and builds the experiment data files.
• --all: Executes all available processes above (docker, samples, omics, drugs, exp). This does not run the validate, figshare, or pypi commands.
• --validate: Validates the generated datasets using the schema check scripts. This is automatically included if data upload occurs.
• --figshare: Uploads the datasets to Figshare. FIGSHARE_TOKEN must be set in local environment.
• --pypi: Uploads the package to PyPI. PYPI_TOKEN must be set in local environment.
• --high_mem: Utilizes high memory mode for concurrent data processing. This has been successfully tested using 32 or more vCPUs.
• --dataset: Specifies the datasets to process (default='broad_sanger,hcmi,beataml,mpnst,cptac').
• --version: Specifies the version number for the PyPI package and Figshare upload title (e.g., "0.1.29"). This is required for figshare and PyPI upload steps. This must be a higher version than previously published versions.
• --github-username: GitHub username matching the GITHUB_TOKEN. Required to push the new Tag to the GitHub Repository.
• --github-email: GitHub email matching the GITHUB_TOKEN. Required to push the new Tag to the GitHub Repository.

Example usage:

• Build all datasets and upload to Figshare and PyPI and GitHub.
  Required tokens for the following command: SYNAPSE_AUTH_TOKEN, PYPI_TOKEN, FIGSHARE_TOKEN, GITHUB_TOKEN.

python build/build_all.py --all --high_mem --validate --pypi --figshare --version 0.1.41 --github-username jjacobson95 --github-email [email protected]

• Build only the experiment files.
  Note: Preceding steps will not automatically be run. This assumes that docker images, samples, omics, and drugs were all previously built. Ensure all required tokens are set.

python build/build_all.py --exp

build_dataset.py script

This script builds a single dataset for debugging purposes only. It can help determine if a dataset will build correctly in isolation. Note that the sample and drug identifiers generated may not align with those from other datasets, so this script is not suitable for building production datasets.

It requires the following authorization tokens to be set in the local environment depending on the dataset:

SYNAPSE_AUTH_TOKEN: Required for beataml and mpnst datasets. Follow the directions above to use gain access.

Available arguments:

• --dataset: Required. Name of the dataset to build. At a minimum, this will build the docker images.
• --use_prev_dataset: Optional. Prefix of the previous dataset for sample and drug ID continuation. The previous dataset files must be in the "local" directory.
• --build: Optional. Build the desired Dataset.
• --validate: Optional. Run the schema checker on the built files.
• --continue: Optional. Continues from where the build left off by skipping existing files in "local" directory. Example usage:

Build the broad_sanger dataset:

python build/build_dataset.py --build --dataset broad_sanger

Build the mpnst dataset continuing from broad_sanger sample and drug IDs:

python build/build_dataset.py --build --dataset mpnst --use_prev_dataset broad_sanger

Build run schema validation on hcmi dataset:

python build/build_dataset.py --dataset hcmi --validate

Build the broad_sanger dataset but skip previously built files in "local" directory:

python build/build_dataset.py --dataset broad_sanger --continue

Data Source Reference List

Dataset	Data Source	Resource	Authors	AACR Reference Number
DepMap / Sanger	PharmacoGx - CCLE	The Cancer Cell Line Encyclopedia enables predictive modelling of anticancer drug sensitivity	Jordi Barretina et al.	1
DepMap / Sanger	PharmacoGx - gCSI	Reproducible pharmacogenomic profiling of cancer cell line panels	Peter M Haverty et al.	2
DepMap / Sanger	PharmacoGx - gCSI	A comprehensive transcriptional portrait of human cancer cell lines	Christiaan Klijn et al.	3
DepMap / Sanger	PharmacoGx - GDSC	Systematic identification of genomic markers of drug sensitivity in cancer cells	Mathew J Garnett et al.	4
DepMap / Sanger	PharmacoGx - GDSC	A Landscape of Pharmacogenomic Interactions in Cancer	Francesco Iorio et al.	5
DepMap / Sanger	PharmacoGx - GDSC	Genomics of Drug Sensitivity in Cancer (GDSC): a resource for therapeutic biomarker discovery in cancer cells	Wanjuan Yang et al.	6
DepMap / Sanger	PharmacoGx - PRISM	Discovering the anti-cancer potential of non-oncology drugs by systematic viability profiling	Steven M Corsello et al.	7
DepMap / Sanger	PharmacoGx - PRISM	High-throughput identification of genotype-specific cancer vulnerabilities in mixtures of barcoded tumor cell lines	Channing Yu et al.	8
DepMap / Sanger	PharmacoGx - CTRP	Harnessing Connectivity in a Large-Scale Small-Molecule Sensitivity Dataset	Brinton Seashore-Ludlow et al.	9
DepMap / Sanger	PharmacoGx - FIMM	Consistency in drug response profiling	John Patrick Mpindi et al.	10
DepMap / Sanger	PharmacoGx - FIMM	Individualized Systems Medicine Strategy to Tailor Treatments for Patients with Chemorefractory Acute Myeloid Leukemia	Tea Pemovska et al.	11
DepMap / Sanger	PharmacoGx - NCI60	The NCI60 human tumour cell line anticancer drug screen	Robert H. Shoemaker	12
DepMap / Sanger	PharmacoGx - CTRPv2	Correlating chemical sensitivity and basal gene expression reveals mechanism of action	Rees et al.	13
DepMap / Sanger	PharmacoGx - CTRPv2	Harnessing Connectivity in a Large-Scale Small-Molecule Sensitivity Dataset	Seashore-Ludlow et al.	14
DepMap / Sanger	PharmacoGx - CTRPv2	An Interactive Resource to Identify Cancer Genetic and Lineage Dependencies Targeted by Small Molecules	Bodycombe Basu et al.	15
DepMap / Sanger	COSMIC	COSMIC: a curated database of somatic variants and clinical data for cancer	Zbyslaw Sondka et al.	16
DepMap / Sanger	Cellosaurus	The Cellosaurus, a Cell-Line Knowledge Resource	Amos Bairoch	17
DepMap / Sanger	Cancer Cell Line Encyclopedia	Quantitative Proteomics of the Cancer Cell Line Encyclopedia	David P Nusinow et al	18
DepMap / Sanger	Cancer Cell Line Encyclopedia	The Cancer Cell Line Encyclopedia enables predictive modelling of anticancer drug sensitivity	Jordi Barretina	19
CPTAC	Clinical Proteomic Tumor Analysis Consortium	Simplified and Unified Access to Cancer Proteogenomic Data	Caleb M Lindgren et al.	20
HCMI	NCI Genomic Data Commons	Human Cancer Models Initiative	-	21
BeatAML	NCI Genomic Data Commons	Integrative analysis of drug response and clinical outcome in acute myeloid leukemia	Daniel Bottomly et al.	22
BeatAML	NCI Proteomic Data Commons	Mapping the proteogenomic landscape enables prediction of drug response in acute myeloid leukemia	James Pino et al.	23
MPNST	NF Data Portal	Chromosome 8 gain is associated with high-grade transformation in MPNST	David P Nusinow et al.	24