#!/bin/bash

# Set non-interactive frontend
export DEBIAN_FRONTEND=noninteractive

# Create a new conda environment
# conda create -n deploy_plymdit_t2 python=3.8 -y

# Activate the environment
conda activate deploy_plymdit_t2

# Install packages using pip
pip install pyarrow pandas joblib scikit-learn==1.3.1

pip install rdkit=='2023.9.6'

# Install PyTorch with CUDA support
pip install torch

# Install PyTorch Geometric
pip install torch_geometric

pip install transformers datasets huggingface_hub

pip install imageio

echo "deploy_plymdit environment setup complete!"

# pyg_lib -f https://data.pyg.org/whl/torch-2.1.0+cu118.html