#Download dataset from ORD GitHub. Need to specify ORD dataset ID and file path.

import ord_schema
from ord_schema import message_helpers, validations
from ord_schema.proto import dataset_pb2

import math
import pandas as pd
import numpy as np
import tensorflow as tf
import matplotlib.pyplot as plt
import os
import wget

from rdkit.Chem import AllChem
from sklearn import model_selection, metrics
from glob import glob
from rdkit import Chem
from molvs import Standardizer

# Download dataset from ord-data
url = "https://github.com/open-reaction-database/ord-data/blob/main/data/46/ord_dataset-46ff9a32d9e04016b9380b1b1ef949c3.pb.gz?raw=true"
pb = wget.download(url)

# Load Dataset message
data = message_helpers.load_message(pb, dataset_pb2.Dataset)

# Ensure dataset validates
valid_output = validations.validate_message(data)

# Convert dataset to pandas dataframe
df = message_helpers.messages_to_dataframe(data.reactions, drop_constant_columns=True)

# View dataframe
#df
df.to_csv('data/Ahneman_ORD_Data.csv', index=False)