Update app.py

app.py

@@ -50,6 +50,12 @@ from utils.sampler import HuggingFace_sampler
 from utils.parsers_inference import parse_pdb
 from model.util import writepdb
 from utils.inpainting_util import *
+import os
+
+# 현재 스크립트의 디렉토리를 기준으로 체크포인트 파일 경로 설정
+current_dir = os.path.dirname(os.path.abspath(__file__))
+dssp_checkpoint = os.path.join(current_dir, 'SEQDIFF_230205_dssp_hotspots_25mask_EQtasks_mod30.pt')
+og_checkpoint = os.path.join(current_dir, 'SEQDIFF_221219_equalTASKS_nostrSELFCOND_mod30.pt')
 
 # Hugging Face 토큰 설정
 ACCESS_TOKEN = os.getenv("HF_TOKEN")
@@ -329,19 +335,23 @@ def generate_explanation(result, params):
     """
     return explanation
 
+# 체크포인트 파일 경로를 절대 경로로 수정
 
 
 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,
                     contigs, pssm, seq_mask, str_mask, rewrite_pdb):
-
     
-    dssp_checkpoint = './SEQDIFF_230205_dssp_hotspots_25mask_EQtasks_mod30.pt'
-    og_checkpoint = './SEQDIFF_221219_equalTASKS_nostrSELFCOND_mod30.pt'
-
+    # 체크포인트 파일 존재 확인
+    if not os.path.exists(dssp_checkpoint):
+        raise FileNotFoundError(f"DSSP checkpoint file not found at: {dssp_checkpoint}")
+    if not os.path.exists(og_checkpoint):
+        raise FileNotFoundError(f"OG checkpoint file not found at: {og_checkpoint}")
+    
     model_args = copy.deepcopy(args)
 
+
     # make sampler
     S = HuggingFace_sampler(args=model_args)
 
@@ -902,23 +912,32 @@ def calculate_similarity(keywords, entry):
     """키워드와 데이터셋 항목 간의 유사도 계산"""
     try:
         score = 0
-        # 시퀀스 특성 검사
-        sequence = entry['sequence'].lower()
+        # 데이터셋 구조 확인 및 안전한 접근
+        sequence = entry.get('sequence', '').lower() if isinstance(entry, dict) else str(entry).lower()
+        
+        # 데이터셋 구조 디버깅
+        print("Entry structure:", type(entry))
+        print("Entry content:", entry)
+        
         for keyword in keywords:
-            if keyword in entry.get('description', '').lower():
+            # 안전한 접근을 위한 수정
+            description = entry.get('description', '') if isinstance(entry, dict) else ''
+            if keyword in description.lower():
                 score += 2
             if keyword in sequence:
                 score += 1
-            if 'secondary_structure' in entry:
-                if keyword in ['helix'] and 'H' in entry['secondary_structure']:
+            if isinstance(entry, dict) and 'secondary_structure' in entry:
+                sec_structure = entry['secondary_structure']
+                if keyword in ['helix'] and 'H' in sec_structure:
                     score += 1
-                if keyword in ['sheet'] and 'E' in entry['secondary_structure']:
+                if keyword in ['sheet'] and 'E' in sec_structure:
                     score += 1
-                if keyword in ['loop'] and 'L' in entry['secondary_structure']:
+                if keyword in ['loop'] and 'L' in sec_structure:
                     score += 1
         return score
     except Exception as e:
-        print(f"유사도 계산 중 오류: {str(e)}")
+        print(f"유사도 계산 중 상세 오류: {str(e)}")
+        print("Entry:", entry)
         return 0
 
 def extract_parameters_from_chat(chat_response):