fix up acanet demo

tdc/single_pred/mpc.py

@@ -38,11 +38,8 @@ def get_from_gh(self, link):
         return self.data
 
     def get_data(self, link=None, get_from_gh=True):
-        if (not get_from_gh) and link is None:
-            raise Exception(
-                "provide dataset github link from https://github.com/bidd-group/MPCD"
-            )
-        elif get_from_gh:
+        link = link if link is not None else self.name
+        if get_from_gh:
             return self.get_from_gh(link)
         # support direct interfface with MoleculeACE API as well
         from MoleculeACE import Data, Descriptors

tdc/test/test_dataloaders.py

@@ -124,6 +124,15 @@ def test_resource_dataverse_dataloader_raw_splits(self):
                           pd.DataFrame)
         assert not splits["dev"]
 
+    def test_mpc(self):
+        from tdc.single_pred.mpc import MPC
+        Xs = MPC(name = "https://raw.githubusercontent.com/bidd-group/MPCD/main/dataset/ADMET/DeepDelta_benchmark/Caco2.csv")
+        Xs_split = Xs.get_split()
+        Xs_train = Xs_split["train"]
+        Xs_test = Xs_split["test"]
+        y_train_pIC50 = Xs_train["Y"]
+        y_test_pIC50 = Xs_test["Y"]
+
     def tearDown(self):
         try:
             print(os.getcwd())