ahmedmiloudi/BioTechLabAI

1FROM python:3.10-slim2 3WORKDIR /app4 5# System dependencies (RDKit)6RUN apt-get update && apt-get install -y \7    build-essential \8    cmake \9    git \10    wget \11    curl \12    libboost-all-dev \13    libcairo2-dev \14    libeigen3-dev \15    libopenbabel-dev \16    python3-rdkit \17    rdkit-data \18    && rm -rf /var/lib/apt/lists/*19 20# Copy requirements first21COPY requirements.txt .22 23# Install all Python packages in a single RUN24RUN pip install --upgrade pip && \25    pip install --no-cache-dir \26        torch torchvision --index-url https://download.pytorch.org/whl/cpu && \27    pip install --no-cache-dir \28        torch-geometric \29        pytorch-lightning \30        jax \31        tensorflow && \32    pip install --no-cache-dir \33        dgl -f https://data.dgl.ai/wheels/repo.html && \34    pip install --no-cache-dir \35        deepchem \36        deeppurpose \37        admet-ai && \38    pip install --no-cache-dir -r requirements.txt39 40# Copy source code41COPY src/ ./src/42 43# HF only supports port 786044EXPOSE 850145 46# Launch Streamlit on HF47CMD ["streamlit", "run", "src/streamlit_app.py", "--server.port=8501", "--server.address=0.0.0.0"]48