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source("src/summarize_map.R") |
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dataset1_name <- arrow::read_parquet( |
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"intermediate/dataset1.parquet", |
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col_select = "name") |> |
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dplyr::mutate( |
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WT_name = name |> stringr::str_replace("pdb_[A-Z][0-9]+[A-Z]", "pdb")) |> |
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dplyr::filter( |
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!(WT_name |> stringr::str_detect("[0-9][A-Z0-9a-z]{3}([.]pdb)?")), |
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!(WT_name |> stringr::str_detect("ruler"))) |
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names_joined |> dplyr::filter(is.na(name_models)) |> dplyr::select(-name_models) |> dplyr::filter(!(WT_name |> stringr::str_detect("ruler")), !(WT_name |> stringr::str_detect("set")), !(WT_name |> stringr::str_detect("_del")), !(WT_name |> stringr::str_detect("_ins")), !(WT_name |> stringr::str_detect("_wt[a-z]")), !(WT_name |> stringr::str_detect("scramble")), !(WT_name |> stringr::str_detect("(PP5|ZF5)[.]3")), !(WT_name |> stringr::str_detect("(UAH|SAH)-p53-8R"))) |> dplyr::filter(WT_name |> stringr::str_detect("pdb")) |
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models_name <- arrow::read_parquet( |
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"intermediate/AlphaFold_model_PDBs.parquet", |
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col_select = "name") |> |
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dplyr::mutate( |
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name = name |> stringr::str_replace(":", "[|]")) |
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names_joined <- dplyr::full_join( |
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dataset1_name |> dplyr::mutate(name_dataset1 = WT_name), |
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models_name |> dplyr::mutate(name_models = name), |
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by = c("WT_name" = "name")) |
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names_joined_summary <- names_joined |> |
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summarize_map( |
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x_cols = name_dataset1, |
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y_cols = name_models, |
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verbose = TRUE) |
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check_id_consistency <- function( |
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dataset_tag, |
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split, |
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verbose = FALSE) { |
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if (verbose) { |
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cat("Loading model ids...\n") |
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} |
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dataset1 <- arrow::read_parquet( |
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paste0("intermediate/", dataset_tag, "_", split, ".parquet"), |
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col_select = "id") |
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if (verbose) { |
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cat("Loading function prediction ids...\n") |
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} |
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ids_anno <- arrow::read_parquet( |
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paste0("intermediate/", dataset_tag, "_function_predictions.parquet"), |
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col_select = "id") |> |
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dplyr::distinct(id) |
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problems <- dplyr::full_join( |
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ids_model |> |
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dplyr::mutate(model_id = id), |
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ids_anno |> |
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dplyr::mutate(anno_id = id), |
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by = "id") |> |
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summarize_map( |
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x_cols = model_id, |
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y_cols = anno_id, |
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verbose = verbose) |
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problems |
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} |
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check_id_consistency("rosetta_high_quality") |
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check_id_consistency("rosetta_low_quality") |
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check_id_consistency("dmpfold_high_quality") |
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check_id_consistency("dmpfold_low_quality") |
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