Update app.py

app.py

@@ -1,27 +1,39 @@
 import gradio as gr
 from bioemu.sample import main as sample
 import os
+import shutil
 
-def run_bioemu(seq, num_samples):
-    outdir = "outputs"
+def run_bioemu(seq, num_samples, outdir):
+    if not outdir.strip():
+        outdir = "outputs"   # 默认目录
     os.makedirs(outdir, exist_ok=True)
 
+    # 运行 BioEmu 采样
     sample(
         sequence=seq,
         num_samples=int(num_samples),
         output_dir=outdir
     )
 
-    return f"运行完成！结果保存在 {outdir} 文件夹下。"
+    # 打包结果为 zip
+    zip_path = f"{outdir}.zip"
+    if os.path.exists(zip_path):
+        os.remove(zip_path)  # 避免覆盖错误
+    shutil.make_archive(outdir, 'zip', outdir)
+
+    return f"运行完成！结果保存在 {outdir} 文件夹下。", zip_path
 
 with gr.Blocks() as demo:
     gr.Markdown("## 🧬 BioEmu Demo: 生成蛋白质结构集合")
 
     seq = gr.Textbox(label="输入蛋白质序列", value="GYDPETGTWG")
     num_samples = gr.Slider(1, 20, value=5, step=1, label="采样数量")
+    outdir = gr.Textbox(label="输出目录", value="outputs", placeholder="比如：results/chignolin")
+
     run_btn = gr.Button("运行 BioEmu")
-    output = gr.Textbox(label="输出信息")
+    output_info = gr.Textbox(label="运行信息")
+    output_file = gr.File(label="下载结果（zip 格式）")
 
-    run_btn.click(fn=run_bioemu, inputs=[seq, num_samples], outputs=output)
+    run_btn.click(fn=run_bioemu, inputs=[seq, num_samples, outdir], outputs=[output_info, output_file])
 
 demo.launch()