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Get lineage phenotypes #1

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71 changes: 71 additions & 0 deletions XBB_config.yaml
Original file line number Diff line number Diff line change
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# Configuration file for `lineage_phenotypes.ipynb` notebook.

# Mutation effects on phenotypes.
# Top-level key is the viral lineage that the mutation effects are computed relative to.
# The next key is the phenotype name.
# Then the keys are the CSV file with the data and columns with phenotypes within.
# The CSV must have columns "site", "wildtype", and "mutant."
mutation_phenotype_csvs:
XBB.1.5:
spike pseudovirus DMS:
# https://www.biorxiv.org/content/10.1101/2023.11.13.566961v1
csv_raw: data/spike_pseudovirus_DMS_XBB.1.5.csv
columns_raw:
- human sera escape
- ACE2 binding
- spike mediated entry
# pivot df of csv_raw by region (S2, RBD, NTD, other)
csv: data/pivot_spike_pseudovirus_DMS_XBB.1.5.csv
# Define which mutation type to keep (only RBD and S2?)
columns:
# - RBD human sera escape
# - RBD ACE2 binding
# - RBD spike mediated entry
- Non-RBD human sera escape
- Non-RBD ACE2 binding
- Non-RBD spike mediated entry
RBD yeast-display DMS:
# https://journals.plos.org/plospathogens/article?id=10.1371/journal.ppat.1011901
# https://jbloomlab.github.io/SARS2-RBD-escape-calc/
csv: data/yeast_RBD_DMS_XBB.1.5.csv
columns:
- ACE2 affinity
- RBD expression
- escape
EVEscape:
# https://www.nature.com/articles/s41586-023-06617-0
# https://api.evescape.org/download_variant_data?curr-virus=COVID19&curr-variant-or-id=Omicron(XBB)
csv: data/EVEscape_XBB_single_mutation_predictions.csv
columns:
- EVEscape

# Pango lineage definitions from https://github.com/corneliusroemer/pango-sequences
# Indicate a specific commit or just latest version from main. Bbelow is latest version, to
# specify a specific commit, indicate the same file from GitHub with that commit, as in:
# https://raw.githubusercontent.com/corneliusroemer/pango-sequences/3201a78cc273ebb7205d853739ad9ff41c032cd5/data/pango-consensus-sequences_summary.json
pango_json: https://raw.githubusercontent.com/corneliusroemer/pango-sequences/main/data/pango-consensus-sequences_summary.json

# Pango lineage growth estimates from https://github.com/nextstrain/forecasts-ncov/
# Indicate a specific date or just latest version. Below specifies the latest version.
# To specify a specific date, change the `latest` in the file name to the date, as in:
# https://data.nextstrain.org/files/workflows/forecasts-ncov/gisaid/pango_lineages/global/mlr/2024-02-25_results.json
pango_growth_json: https://data.nextstrain.org/files/workflows/forecasts-ncov/gisaid/pango_lineages/global/mlr/latest_results.json

# Indicate whether each lineage is descendant of each of these parent clades, according definitions in `pango_json`
classify_descendants_of:
- XBB

# Number of randomizations of each phenotype. Randomizations are performed by shuffling
# the mutation phenotype values among mutations. These are useful for evaluating the
# "significance" of correlations.
n_randomizations: 100

# Intermediate files
spike_pseudovirus_dms_pivot: data/pivot_spike_pseudovirus_DMS_XBB.1.5.csv

# Output files
mutation_phenotypes_csv: results/mutation_phenotypes.csv
mutation_phenotypes_randomized_csv: results/mutation_phenotypes_randomized.csv
lineage_phenotypes_csv: results/lineage_phenotypes.csv
lineage_phenotypes_randomized_csv: results/lineage_phenotypes_randomized.csv
lineage_phenotpyes_chart: docs/index.html
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