import json import re import torch import torch.nn as nn from torch.nn import functional as F class DrugTokenizer: def __init__(self, vocab_path="tokenizer/vocab.json", special_tokens_path="tokenizer/special_tokens_map.json"): self.vocab, self.special_tokens = self.load_vocab_and_special_tokens(vocab_path, special_tokens_path) self.cls_token_id = self.vocab[self.special_tokens['cls_token']] self.sep_token_id = self.vocab[self.special_tokens['sep_token']] self.unk_token_id = self.vocab[self.special_tokens['unk_token']] self.pad_token_id = self.vocab[self.special_tokens['pad_token']] self.id_to_token = {v: k for k, v in self.vocab.items()} def load_vocab_and_special_tokens(self, vocab_path, special_tokens_path): with open(vocab_path, 'r', encoding='utf-8') as vocab_file: vocab = json.load(vocab_file) with open(special_tokens_path, 'r', encoding='utf-8') as special_tokens_file: special_tokens_raw = json.load(special_tokens_file) special_tokens = {key: value['content'] for key, value in special_tokens_raw.items()} return vocab, special_tokens def encode(self, sequence): tokens = re.findall(r'\[([^\[\]]+)\]', sequence) input_ids = [self.cls_token_id] + [self.vocab.get(token, self.unk_token_id) for token in tokens] + [self.sep_token_id] attention_mask = [1] * len(input_ids) return { 'input_ids': input_ids, 'attention_mask': attention_mask } def batch_encode_plus(self, sequences, max_length, padding, truncation, add_special_tokens, return_tensors): input_ids_list = [] attention_mask_list = [] for sequence in sequences: encoded = self.encode(sequence) input_ids = encoded['input_ids'] attention_mask = encoded['attention_mask'] if len(input_ids) > max_length: input_ids = input_ids[:max_length] attention_mask = attention_mask[:max_length] elif len(input_ids) < max_length: pad_length = max_length - len(input_ids) input_ids = input_ids + [self.vocab[self.special_tokens['pad_token']]] * pad_length attention_mask = attention_mask + [0] * pad_length input_ids_list.append(input_ids) attention_mask_list.append(attention_mask) return { 'input_ids': torch.tensor(input_ids_list, dtype=torch.long), 'attention_mask': torch.tensor(attention_mask_list, dtype=torch.long) } def decode(self, input_ids, skip_special_tokens=False): tokens = [] for id in input_ids: if skip_special_tokens and id in [self.cls_token_id, self.sep_token_id, self.pad_token_id]: continue tokens.append(self.id_to_token.get(id, self.special_tokens['unk_token'])) sequence = ''.join([f'[{token}]' for token in tokens]) return sequence