import json from pytorch_lightning import LightningDataModule from torch.utils.data import DataLoader, ConcatDataset, Dataset from data_provider.stage1_dm import SwissProtDataset, OntoProteinDataset import pandas as pd class MetallonBinding(Dataset): def __init__(self, data_path, prompt='', return_prompt=False): super(MetallonBinding, self).__init__() self.data_path = data_path self.user_prompt = prompt self.return_prompt = return_prompt self.data_list = self._load_and_preprocess(self.data_path) self.text2id = self._build_text_vocab() def _load_and_preprocess(self, data_path): data_list = [] df = pd.read_csv(data_path) for _, row in df.iterrows(): try: name = str(row['name']).strip() prot_seq = str(row['aa_seq']).strip() result = str(int(row['label'])).strip() text_seq = f"{result}\n" prompt = f""" Task: Determine whether this protein is a metalloprotein based on the provided sequence and protein name {name}. Background: Metalloproteins are proteins that bind metal ions, often through specific amino acid residues such as histidine (H), cysteine (C), aspartate (D), or glutamate (E). Question: Does this protein bind metal ions? Please choose one of the following options: 0: Non-metalloprotein — This protein does **not** bind to any metal ions. 1: Metalloprotein — This protein **binds** to one or more metal ions. """ if self.user_prompt: prompt += self.user_prompt # extra可以返回原始feather字符串,也可以返回feather_vals # 或 feather_raw data_list.append((prot_seq, text_seq, prompt)) except Exception as e: print(f"警告: 跳过有问题的行: {row},原因: {e}") return data_list def _build_text_vocab(self): text2id = {} for _, text_seq, _ in self.data_list: if text_seq not in text2id: text2id[text_seq] = len(text2id) return text2id def shuffle(self): random.shuffle(self.data_list) return self def __len__(self): return len(self.data_list) def __getitem__(self, index): prot_seq, text_seq, prompt = self.data_list[index] if self.return_prompt: return prot_seq, prompt, text_seq,index return prot_seq, text_seq, index