add support in app

env_consts.py

@@ -4,3 +4,6 @@ TEST_INPUT_DIR = None
 TEST_OUTPUT_DIR = None
 THIS_FILE_DIR = os.path.dirname(os.path.abspath(__file__))
 CKPT_PATH = os.path.join(THIS_FILE_DIR, "resources", "77-182500_only_weights.ckpt")
+RUN_CONFIG_PATH = os.path.join(THIS_FILE_DIR, "resources", "run_config.json")
+
+OUTPUT_PATH = os.path.join(THIS_FILE_DIR, "predicted_out.pdb")

inference_app.py

@@ -5,7 +5,8 @@ import json
 import gradio as gr
 
 from gradio_molecule3d import Molecule3D
-
+from run_on_seq import run_on_sample_seqs
+from env_consts import RUN_CONFIG_PATH, OUTPUT_PATH
 
 
 
@@ -14,10 +15,14 @@ def predict (input_seq_1, input_msa_1, input_protein_1, input_seq_2,input_msa_2,
     # Do inference here
     # return an output pdb file with the protein and two chains A and B.  
     # also return a JSON with any metrics you want to report
-    metrics = {"mean_plddt": 80, "binding_affinity": 2}
+    # metrics = {"mean_plddt": 80, "binding_affinity": 2}
+    metrics = {}
+    run_on_sample_seqs(input_seq_1, input_protein_1, input_seq_2, input_protein_2, OUTPUT_PATH, RUN_CONFIG_PATH)
+
     end_time = time.time()
     run_time = end_time - start_time
-    return "test_out.pdb",json.dumps(metrics), run_time
+
+    return OUTPUT_PATH, json.dumps(metrics), run_time
 
 with gr.Blocks() as app: