update

app.py

@@ -11,8 +11,27 @@ from utils import draw_grid_predict
 logger = logging.getLogger(__name__)
 logger.addHandler(logging.NullHandler())
 
+MOLFORMER_VERSIONS = {
+    "Molformer_classification": ["bace", "bbbp", "hiv"],
+    "Molformer_regression": [
+        "alpha",
+        "cv",
+        "g298",
+        "gap",
+        "h298",
+        "homo",
+        "lipo",
+        "lumo",
+        "mu",
+        "r2",
+        "u0",
+    ],
+    "Molformer_multitask_classification": ["clintox", "sider", "tox21"],
+}
+
 REMOVE = ["docking", "docking_tdc", "molecule_one", "askcos", "plogp"]
 REMOVE.extend(["similarity_seed", "activity_against_target", "organtox"])
+REMOVE.extend(MOLFORMER_VERSIONS.keys())
 
 MODEL_PROP_DESCRIPTION = {
     "Tox21": "NR-AR, NR-AR-LBD, NR-AhR, NR-Aromatase, NR-ER, NR-ER-LBD, NR-PPAR-gamma, SR-ARE, SR-ATAD5, SR-HSE, SR-MMP, SR-p53",
@@ -59,6 +78,10 @@ if __name__ == "__main__":
         properties.pop(prop_to_idx[prop])
     properties = list(map(lambda x: x.capitalize(), properties))
 
+    # MolFormer options
+    for key in MOLFORMER_VERSIONS.keys():
+        properties.extend([f"{key} ({version})" for version in MOLFORMER_VERSIONS[key]])
+
     # Load metadata
     metadata_root = pathlib.Path(__file__).parent.joinpath("model_cards")