Update README.md

README.md

@@ -9,9 +9,14 @@ pretty_name: >-
   Prediction
 size_categories:
 - 100K<n<1M
+configs:
+- config_name: default
+  data_files:
+  - split: train
+    path: "nci_compounds.tsv"
 ---
 
-# Curated ProteinMPNN training dataset
+# Curated NCI Open Compounds dataset
 
 A curated set of the NCI Open Compounds with compatible mol2 and pdbqt files safe for cofolding and docking applications
 
@@ -39,7 +44,7 @@ To load one of the `NCI_Open_Compounds` model datasets, use `datasets.load_datas
 
     >>> dataset_tag = "train"
     >>> dataset_models = datasets.load_dataset(
-      path = "leebecca/group_mpnn",
+      path = "leebecca/NCI_Open_Compounds",
       name = f"{dataset_tag}_models",
       data_dir = f"{dataset_tag}")['train']
 
@@ -87,8 +92,7 @@ The set contains ligprep output of the minimized 3D structures, expanded to incl
 
 
 - **Acknowledgements:**
-We kindly acknowledge the ProteinMPNN team, RosettaCommons, and the following institutions: University of California, Los Angeles; University of Maryland; University of Oregon; University of Michigan; University of Pennsylvania; and the Wistar Institute.
-
+We kindly acknowledge RosettaCommons
 
 ### Dataset Sources
 https://wiki.nci.nih.gov/spaces/NCIDTPdata/pages/155844992/Chemical+Data
@@ -103,4 +107,4 @@ https://wiki.nci.nih.gov/spaces/NCIDTPdata/pages/155844992/Chemical+Data
 ## Citation
 
 ## Dataset Card Authors
-Miranda Simpson (miranda13nicoles@gmail.com), Becca Lee (beccalee5@g.ucla.edu), Nathaniel Felbinger (nfelbing@umd.edu), Pratyush Dhal (pdhal@umich.edu), Colby Agostino (colby.agostino@pennmedicine.upenn.edu)
+Becca Lee (beccalee5@g.ucla.edu)