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vina_docking_batch/scripts/merge_csv.py
2025-08-12 16:29:37 +08:00

23 lines
867 B
Python

# 合并 COCOUNT 与 plant 的对接结果。
from pathlib import Path
import pandas as pd
data = {
"plant": ["qed_values_poses_trpe_converted.csv", "qed_values_poses_fgbar_converted.csv"],
"cocount": ["qed_values_trpe.csv", "qed_values_fgbar.csv"]
}
df_trpe_plant1 = pd.read_csv(data["plant"][0])
df_fgbar_plant2 = pd.read_csv(data["plant"][1])
df_trpe_plant1["source"] = "plant"
df_fgbar_plant2["source"] = "plant"
df_trpe_cocount1 = pd.read_csv(data["cocount"][0])
df_fgbar_cocount2 = pd.read_csv(data["cocount"][1])
df_trpe_cocount1["source"] = "cocount"
df_fgbar_cocount2["source"] = "cocount"
df_trpe = pd.concat([df_trpe_plant1, df_trpe_cocount1])
df_fgbar = pd.concat([df_fgbar_plant2, df_fgbar_cocount2])
df_trpe.to_csv("qed_values_poses_trpe_all.csv", index=False)
df_fgbar.to_csv("qed_values_poses_fgbar_all.csv", index=False) # 41166 条数据