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Dockerfile

@@ -0,0 +1,30 @@
+# Use a slim Python image
+FROM python:3.10-slim
+
+# Install system dependencies for Biopython, 3D rendering, and ProteinMPNN
+RUN apt-get update && apt-get install -y \
+    build-essential \
+    libgl1-mesa-glx \
+    git \
+    && rm -rf /var/lib/apt/lists/*
+
+# Set up a new user 'user' with UID 1000
+RUN useradd -m -u 1000 user
+USER user
+ENV HOME=/home/user \
+    PATH=/home/user/.local/bin:$PATH
+
+WORKDIR $HOME/app
+
+# Install Python dependencies
+COPY --chown=user requirements.txt $HOME/app/requirements.txt
+RUN pip install --no-cache-dir --upgrade -r requirements.txt
+
+# Copy the rest of the app
+COPY --chown=user . $HOME/app
+
+# Expose the default Gradio port
+EXPOSE 7860
+
+# Launch the app
+CMD ["python", "app.py"]

README.md

@@ -1,12 +1,11 @@
 ---
-title: BroteinShake
-colorFrom: blue
-colorTo: purple
-sdk: gradio
-sdk_version: 6.2.0
-app_file: app.py
+title: BroteinShake BioHub
+emoji: 🥤
+colorFrom: green
+colorTo: gray
+sdk: docker
+app_port: 7860
 pinned: false
-license: mit
 ---
 
 # BroteinShake
@@ -35,4 +34,4 @@ A Gradio application for protein redesign using ProteinMPNN and structural refin
 
 ## Installation
 
-The space uses conda environment specified in `environment.yml`.
+The space uses conda environment specified in `environment.yml`.