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Update app.py
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app.py
CHANGED
@@ -8,12 +8,10 @@ import re
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import io
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import gradio as gr
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# إعداد العشوائية
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torch.manual_seed(int(time.time()))
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if torch.cuda.is_available():
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torch.cuda.manual_seed_all(int(time.time()))
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# تحميل نموذج ChemGPT
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model_name = "ncfrey/ChemGPT-1.2B"
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tokenizer = AutoTokenizer.from_pretrained(model_name)
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model = AutoModelForCausalLM.from_pretrained(model_name)
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@@ -57,8 +55,8 @@ def generate_multiple_valid_smiles(prompt, n=10, max_length=100):
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def generate_drugs_from_pdb(pdb_file):
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try:
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pdb_io = io.StringIO(pdb_str)
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load_pdb(pdb_io)
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@@ -74,7 +72,6 @@ def generate_drugs_from_pdb(pdb_file):
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except Exception as e:
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return f"❌ خطأ: {str(e)}", ""
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# واجهة Gradio
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with gr.Blocks() as demo:
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gr.Markdown("# 🧬 توليد مركبات دوائية من ملف PDB باستخدام ChemGPT")
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with gr.Row():
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import io
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import gradio as gr
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torch.manual_seed(int(time.time()))
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if torch.cuda.is_available():
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torch.cuda.manual_seed_all(int(time.time()))
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model_name = "ncfrey/ChemGPT-1.2B"
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tokenizer = AutoTokenizer.from_pretrained(model_name)
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model = AutoModelForCausalLM.from_pretrained(model_name)
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def generate_drugs_from_pdb(pdb_file):
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try:
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with open(pdb_file.name, 'r') as f:
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pdb_str = f.read()
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pdb_io = io.StringIO(pdb_str)
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load_pdb(pdb_io)
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except Exception as e:
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return f"❌ خطأ: {str(e)}", ""
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with gr.Blocks() as demo:
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gr.Markdown("# 🧬 توليد مركبات دوائية من ملف PDB باستخدام ChemGPT")
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with gr.Row():
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