Update Dockerfile

Dockerfile

@@ -12,25 +12,15 @@ RUN git clone https://github.com/Graylab/DFMDock.git
 # Change into the cloned repository
 WORKDIR /usr/src/app/DFMDock
 
-# Create Conda environment from the environment.yml file
-RUN conda env create -f environment.yml
-
-# Activate the Conda environment
-SHELL ["conda", "run", "-n", "DFMDock", "/bin/bash", "-c"]
-
 # Install the package in editable mode
 RUN pip install -e .
 
-# install dependcies
-RUN conda install -y pandas numpy scikit-learn
-RUN pip3 install torch torchvision torchaudio
-
 # Change back 
 WORKDIR /usr/src/app
-RUN pip install --no-cache-dir -r requirements.txt
 
-# Activate the environment by default when starting the container
-CMD ["conda", "run", "-n", "DFMDock", "bash"]
+# install dependcies
+RUN conda install -y pandas numpy scikit-learn
+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