Update app.py

app.py

@@ -109,11 +109,20 @@ def respond(
 
 def process_chat(message, history):
     try:
+        # 단백질 생성 관련 키워드 확인
         if any(keyword in message.lower() for keyword in ['protein', 'generate', '단백질', '생성']):
+            # 데이터셋에서 관련 정보 검색
             relevant_data = search_protein_data(message)
+            
+            # 생성 파라미터 추출
             params = extract_parameters(message, relevant_data)
+            
+            # 단백질 생성
             protein_result = generate_protein(params)
+            
+            # 결과 설명 생성
             explanation = generate_explanation(protein_result, params)
+            
             return history + [
                 {"role": "user", "content": message},
                 {"role": "assistant", "content": explanation}
@@ -130,6 +139,7 @@ def process_chat(message, history):
         ]
 
 def search_protein_data(query):
+    # 데이터셋에서 관련 항목 검색
     relevant_entries = []
     for entry in ds['train']:
         if any(keyword in entry['sequence'].lower() for keyword in query.lower().split()):
@@ -137,8 +147,9 @@ def search_protein_data(query):
     return relevant_entries
 
 def extract_parameters(llm_response, dataset_info):
+    # LLM 응답에서 파라미터 추출
     params = {
-        'sequence_length': 100,
+        'sequence_length': 100,  # 기본값
         'helix_bias': 0.02,
         'strand_bias': 0.02,
         'loop_bias': 0.1,
@@ -146,6 +157,29 @@ def extract_parameters(llm_response, dataset_info):
     }
     return params
 
+def generate_protein(params):
+    # 기존 protein_diffusion_model 함수 호출
+    result = protein_diffusion_model(
+        sequence=None,
+        seq_len=params['sequence_length'],
+        helix_bias=params['helix_bias'],
+        strand_bias=params['strand_bias'],
+        loop_bias=params['loop_bias'],
+        secondary_structure=None,
+        aa_bias=None,
+        aa_bias_potential=None,
+        num_steps="25",
+        noise="normal",
+        hydrophobic_target_score=str(params['hydrophobic_target_score']),
+        hydrophobic_potential="2",
+        contigs=None,
+        pssm=None,
+        seq_mask=None,
+        str_mask=None,
+        rewrite_pdb=None
+    )
+    return result
+
 def generate_explanation(result, params):
     explanation = f"""
     생성된 단백질 분석:
@@ -159,6 +193,7 @@ def generate_explanation(result, params):
     return explanation
 
 
+
 def protein_diffusion_model(sequence, seq_len, helix_bias, strand_bias, loop_bias, 
                     secondary_structure, aa_bias, aa_bias_potential, 
                     num_steps, noise, hydrophobic_target_score, hydrophobic_potential,