minimal test

app.py

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+import gradio as gr
+
+import os
+import subprocess
+from pathlib import Path
+import shutil
+import spaces
+
+# Download model weights (skips already-downloaded models automatically)
+# In total, ~6GB (3GB for RFD3, 3GB for RF3, <100MB for MPNN); may take a few minutes depending on your connection speed
+os.system("foundry install rfd3 ligandmpnn rf3")# installing model weights
+
+
+#download_dir = "./models/"
+#if not os.path.exists(download_dir):
+#    cmd  = "foundry install rfd3 ligandmpnn rf3"
+#    result = subprocess.run(cmd, shell=True, capture_output=True, text=True)
+#
+## Run once on startup: Install models if missing
+#checkpoint_dir = Path.home() / ".foundry" / "checkpoints"
+#os.environ["FOUNDRY_CHECKPOINT_DIRS"] = str(checkpoint_dir)
+#
+#def install_models():
+#    """Download rfd3, ligandmpnn, rf3 weights once."""
+#    #models = ["rfd3", "ligandmpnn", "rf3"]
+#    models = ["ligandmpnn"] # let's start with only ligand mpnn for testing
+#    for model in models:
+#        if not (checkpoint_dir / model).exists():
+#            print(f"Installing {model}...")
+#            subprocess.check_call(["foundry", "install", model])
+#    print("All models installed.")
+#
+#install_models()  # Executes on app.py load
+
+@spaces.GPU(duration=300)  
+def test_rfd3():
+    """Run a quick rfd3 test design (minimal monomer, 1 step)."""
+    try:
+        cmd = [
+            "rfd3",
+            "design",
+            "--seed", "42",
+            "contigmap.contigs=[A10]",  # Tiny 10-res monomer
+            "--num_designs", "1",
+            "inference.output_prefix=test_output",
+            "--inference.num_diffusion_steps", "10"  # Fast test
+        ]
+        result = subprocess.run(cmd, capture_output=True, text=True, timeout=300)
+        if result.returncode == 0:
+            return "RFD3 test passed! Check test_output.pdb. Logs:\n" + result.stdout[-500:]
+        else:
+            return f"RFD3 test failed: {result.stderr}"
+    except Exception as e:
+        return f"Error: {str(e)}"
+    
+    
+# Gradio UI
+with gr.Blocks(title="RFD3 Test") as demo:
+    gr.Markdown("# RFdiffusion3 (RFD3) Model Checker")
+    gr.Markdown("Models auto-downloaded on launch. Click to test.")
+    
+    test_btn = gr.Button("Run RFD3 Test")
+    output = gr.Textbox(label="Test Result")
+    
+    test_btn.click(test_rfd3, outputs=output)
+
+if __name__ == "__main__":
+    demo.launch()

requiremements.txt

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+pip install rc-foundry[all]