| FROM continuumio/miniconda3 | |
| RUN useradd -m -u 1000 user | |
| WORKDIR /usr/src/app | |
| COPY --link --chown=1000 ./ /usr/src/app | |
| COPY . . | |
| # Clone the GitHub repository | |
| RUN git clone https://github.com/Graylab/DFMDock.git | |
| # Change into the cloned repository | |
| WORKDIR /usr/src/app/DFMDock | |
| # Install the package in editable mode | |
| RUN pip install -e . | |
| # Change back | |
| WORKDIR /usr/src/app | |
| # install dependcies | |
| RUN conda install -y pandas numpy scikit-learn | |
| #RUN pip3 install torch torchvision torchaudio | |
| RUN pip install --no-cache-dir -r requirements.txt | |
| #if you need to download executable and run them switch to the default non-root user | |
| USER user | |
| #do not modify below | |
| EXPOSE 7860 | |
| ENV GRADIO_SERVER_NAME="0.0.0.0" | |
| CMD ["python", "inference_app.py"] |