Pinnacle experiment data -- scDTI

tdc/metadata.py

@@ -927,6 +927,16 @@ def get_task2category():
     "pinnacle_protein_embed": "pth",
     "pinnacle_labels_dict": "txt",
     "panpep": "tab",
+    "pinnacle_output1": "zip",
+    "pinnacle_output2": "zip",
+    "pinnacle_output3": "zip",
+    "pinnacle_output4": "zip",
+    "pinnacle_output5": "zip",
+    "pinnacle_output6": "zip",
+    "pinnacle_output7": "zip",
+    "pinnacle_output8": "zip",
+    "pinnacle_output9": "zip",
+    "pinnacle_output10": "zip",
 }
 
 name2id = {
@@ -1104,6 +1114,16 @@ def get_task2category():
     "pinnacle_protein_embed": 10407128,
     "pinnacle_labels_dict": 10409635,
     "panpep": 10428565,
+    "pinnacle_output1": 10431072,
+    "pinnacle_output2": 10431073,
+    "pinnacle_output3": 10431078,
+    "pinnacle_output4": 10431080,
+    "pinnacle_output5": 10431077,
+    "pinnacle_output6": 10431076,
+    "pinnacle_output7": 10431079,
+    "pinnacle_output8": 10431074,
+    "pinnacle_output9": 10431075,
+    "pinnacle_output10": 10431081,
 }
 
 oracle2type = {

tdc/resource/pinnacle.py

@@ -1,5 +1,5 @@
 from ..utils import general_load
-from ..utils.load import download_wrapper, load_json_from_txt_file
+from ..utils.load import download_wrapper, load_json_from_txt_file, zip_data_download_wrapper
 
 import pandas as pd
 import os
@@ -9,15 +9,6 @@
 class PINNACLE:
     """
     PINNACLE is a class for loading and manipulating the PINNACLE networks and embeddings.
-    @article{
-        Li2023,
-        author = "Michelle Li",
-        title = "{PINNACLE}",
-        year = "2023",
-        month = "4",
-        url = "https://figshare.com/articles/software/AWARE/22708126",
-        doi = "10.6084/m9.figshare.22708126.v5"
-    }
     """
 
     def __init__(self, path="./data"):
@@ -30,7 +21,6 @@ def __init__(self, path="./data"):
             "\t")  # use tab as names were left with spaces
         self.cell_tissue_mg.columns = ["Tissue", "Cell"]
         self.embeds_name = "pinnacle_protein_embed"
-        # self.embeds = resource_dataset_load(self.embeds_name, path, [self.embeds_name])
         self.embeds_name = download_wrapper(self.embeds_name, path,
                                             self.embeds_name)
         self.embeds = torch.load(os.path.join(path, self.embeds_name + ".pth"))
@@ -61,7 +51,6 @@ def get_keys(self):
     def get_embeds(self):
         prots = self.get_keys()
         emb = self.get_embeds_raw()
-        # nemb = {'--'.join(prots.iloc[k]): v for k, v in emb.items()}
         x = {}
         ctr = 0
         for _, v in emb.items():
@@ -86,3 +75,44 @@ def get_embeds(self):
             x), "dims not mantained when translated to pandas. {} vs {}".format(
                 len(df), len(x))
         return df
+
+    def get_exp_data(self, seed=1, split="train"):
+        if split not in ["train", "val", "test"]:
+            raise ValueError("{} not a valid split".format(split))
+        filename = "pinnacle_output{}".format(seed)
+        # clean data directory
+        file_list = os.listdir("./data")
+        for file in file_list:
+            os.remove(os.path.join("./data", file))
+        print("downloading pinancle zip data...")
+        zip_data_download_wrapper(
+            filename, "./data",
+            ["pinnacle_output{}".format(x) for x in range(1, 11)])
+        print("success!")
+        # Get non-csv files and remove them
+        non_csv_files = [
+            f for f in os.listdir("./data") if not f.endswith(".csv")
+        ]
+        for x in non_csv_files:
+            os.remove("./data/{}".format(x))
+        # Get a list of all CSV files in the unzipped folder
+        csv_files = [f for f in os.listdir("./data") if f.endswith(".csv")]
+        if not csv_files:
+            raise Exception("no csv")
+        x = []
+        print("iterating over csv files...")
+        for file in csv_files:
+            print("got file {}".format(file))
+            if "_{}_".format(split) not in file:
+                os.remove("./data/{}".format(file))
+                continue
+            print("reading into pandas...")
+            df = pd.read_csv("./data/{}".format(file))
+            cell = file.split("_")[-1]
+            cell = cell.split(".")[0]
+            df["cell_type_label"] = cell
+            disease = "IBD" if "3767" in file else "RA"
+            df["disease"] = disease
+            x.append(df)
+            os.remove("./data/{}".format(file))
+        return pd.concat(x, axis=0, ignore_index=True)

tdc/test/test_resources.py

@@ -38,7 +38,6 @@ def test_get_gene_metadata(self):
             fmt="pyarrow",
             measurement_name="RNA")
         print(varpyarrow)
-        # assert isinstance(varpyarrow, SparseCOOTensor)
 
     def test_get_measurement_matrix(self):
         X = self.resource.query_measurement_matrix(
@@ -112,6 +111,13 @@ def test_embeddings(self):
         assert len(set(cells)) == num_cells, "{} vs {} for cell_types".format(
             len(cells), num_cells)
 
+    def test_exp_data(self):
+        from tdc.resource.pinnacle import PINNACLE
+        pinnacle = PINNACLE()
+        exp_data = pinnacle.get_exp_data()
+        assert isinstance(exp_data, DataFrame)
+        assert len(exp_data) > 0, "PINNACLE exp_data is empty"
+
     def tearDown(self):
         try:
             print(os.getcwd())