File size: 26,557 Bytes
714cf46
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
565
566
567
568
569
570
571
572
573
574
575
576
577
578
579
580
581
582
583
584
585
586
587
588
589
590
591
592
593
594
595
596
597
598
599
600
601
602
603
604
605
606
607
608
609
610
611
612
613
614
615
616
617
618
619
620
621
622
623
624
625
626
627
628
629
630
631
632
633
634
635
636
637
638
639
640
641
642
643
644
645
646
647
648
649
650
651
652
653
654
655
656
657
658
659
660
661
662
663
664
665
666
667
668
669
670
671
672
673
674
675
676
677
678
679
680
681
682
683
684
685
686
687
688
689
690
691
692
693
694
695
696
697
698
699
700
701
702
703
# MultiMolecule
# Copyright (C) 2024-Present  MultiMolecule

# This file is part of MultiMolecule.

# MultiMolecule is free software: you can redistribute it and/or modify
# it under the terms of the GNU Affero General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# any later version.

# MultiMolecule is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
# GNU Affero General Public License for more details.

# You should have received a copy of the GNU Affero General Public License
# along with this program.  If not, see <http://www.gnu.org/licenses/>.

# For additional terms and clarifications, please refer to our License FAQ at:
# <https://multimolecule.danling.org/about/license-faq>.


from __future__ import annotations


import torch
import torch.nn as nn
import os
from torch import Tensor
from functools import lru_cache
from itertools import product
from typing import Any, Sequence, Tuple, List
from pathlib import Path
from collections import OrderedDict
from transformers.tokenization_utils import PreTrainedTokenizer


VOCAB_FILES_NAMES = {"vocab_file": "vocab.txt"}
SPECIAL_TOKENS_MAP = {
    "pad_token": {
        "content": "<pad>",
        "lstrip": False,
        "normalized": False,
        "rstrip": False,
        "single_word": False,
    },
    "cls_token": {
        "content": "<cls>",
        "lstrip": False,
        "normalized": False,
        "rstrip": False,
        "single_word": False,
    },
    "eos_token": {
        "content": "<eos>",
        "lstrip": False,
        "normalized": False,
        "rstrip": False,
        "single_word": False,
    },
    "unk_token": {
        "content": "<unk>",
        "lstrip": False,
        "normalized": False,
        "rstrip": False,
        "single_word": False,
    },
    "mask_token": {
        "content": "<mask>",
        "lstrip": False,
        "normalized": False,
        "rstrip": False,
        "single_word": False,
    },
    "null_token": {
        "content": "<null>",
        "lstrip": False,
        "normalized": False,
        "rstrip": False,
        "single_word": False,
    },
}

STANDARD_ALPHABET = list("ACGUNRYSWKMBDHV.X*-I")

IUPAC_ALPHABET = list("ACGUNRYSWKMBDHV.")

STREAMLINE_ALPHABET = list("ACGUN")

NUCLEOBASE_ALPHABET = list("ACGU")

ALPHABETS = {
    "standard": STANDARD_ALPHABET,
    "iupac": IUPAC_ALPHABET,
    "streamline": STREAMLINE_ALPHABET,
    "nucleobase": NUCLEOBASE_ALPHABET,
}

VOCAB_MAPPING = {
    "R": "AG",
    "Y": "CU",
    "S": "CG",
    "W": "AU",
    "K": "GU",
    "M": "AC",
    "B": "CGU",
    "D": "AGU",
    "H": "ACU",
    "V": "ACG",
    "X": "ACGU",
}

TOKENIZER_CONFIG = {
    "tokenizer_class": "RnaTokenizer",
    "clean_up_tokenization_spaces": True,
}


def get_alphabet(alphabet: List[str] | str | None = None, nmers: int = 1, **kwargs) -> Alphabet:
    if alphabet is None:
        alphabet = STANDARD_ALPHABET if nmers <= 1 else STREAMLINE_ALPHABET
    elif isinstance(alphabet, str):
        alphabet = ALPHABETS[alphabet]
    return Alphabet(alphabet, nmers=nmers, **kwargs)


def get_vocab_mapping():
    return VOCAB_MAPPING


def get_special_tokens_map():
    return SPECIAL_TOKENS_MAP


def get_tokenizer_config(add_special_tokens: bool = False):
    config = TOKENIZER_CONFIG
    if add_special_tokens:
        config.setdefault("added_tokens_decoder", {})
        for i, v in enumerate(SPECIAL_TOKENS_MAP.values()):
            config["added_tokens_decoder"][str(i)] = v  # type: ignore[index]
    return config


class Alphabet:
    prepend_tokens: Tuple[str, ...] = ("<pad>", "<cls>", "<eos>", "<unk>", "<mask>", "<null>")
    append_tokens: Tuple[str, ...] = ()
    tokens: Tuple[str, ...]
    nmers: int

    def __init__(
        self,
        tokens: Sequence[str],
        prepend_tokens: Tuple[str, ...] | None = None,
        append_tokens: Tuple[str, ...] | None = None,
        nmers: int = 1,
    ):
        if isinstance(tokens, Alphabet):
            tokens = tokens.tokens
        self.tokens = tuple(tokens)
        if prepend_tokens is not None:
            self.prepend_tokens = tuple(prepend_tokens)
        if append_tokens is not None:
            self.append_tokens = tuple(append_tokens)
        self.nmers = nmers

    @property
    def vocabulary(self) -> Tuple[str, ...]:
        return self._vocabulary(self.prepend_tokens, self.tokens, self.nmers, self.append_tokens)

    @staticmethod
    @lru_cache(maxsize=None)
    def _vocabulary(
        prepend_tokens: Tuple[str, ...], tokens: Tuple[str, ...], nmers: int, append_tokens: Tuple[str, ...]
    ) -> Tuple[str, ...]:
        return prepend_tokens + generate_kmer_vocabulary(tokens, nmers) + append_tokens

    def __iter__(self):
        return iter(self.vocabulary)

    def __len__(self):
        return len(self.vocabulary)

    def __contains__(self, item: str):
        return item in self.vocabulary

    def __repr__(self) -> str:
        repr_parts = [f"Alphabet(tokens={self.tokens}"]
        if self.nmers > 1:
            repr_parts.append(f"nmers={self.nmers}")
        repr_parts.append(f"prepend_tokens={self.prepend_tokens}")
        repr_parts.append(f"append_tokens={self.append_tokens})")
        return ", ".join(repr_parts)


def _merge_extra_special_tokens(
    additional_special_tokens: List | Tuple | None,
    kwargs: dict[str, Any],
) -> List | Tuple | None:
    if "extra_special_tokens" not in kwargs:
        return additional_special_tokens

    extra_special_tokens = kwargs.pop("extra_special_tokens")
    if additional_special_tokens is None:
        merged_special_tokens = []
    else:
        merged_special_tokens = list(additional_special_tokens)

    if isinstance(extra_special_tokens, dict):
        extra_tokens = list(extra_special_tokens.values())
    elif isinstance(extra_special_tokens, (list, tuple)):
        extra_tokens = list(extra_special_tokens)
    else:
        raise TypeError(
            f"extra_special_tokens must be dict, list, or tuple, got {type(extra_special_tokens).__name__}"
        )

    for token in extra_tokens:
        token_value = token
        if isinstance(token, dict) and "content" in token:
            token_value = token["content"]
        if token_value not in merged_special_tokens:
            merged_special_tokens.append(token_value)
    return merged_special_tokens


def generate_kmer_vocabulary(vocabulary: Tuple[str, ...], nmers: int = 1) -> Tuple[str, ...]:
    """
    Generates a kmer vocabulary given an original vocabulary and the size of kmer.

    Args:
        vocabulary (List[str]): The original vocabulary.
        nmers (int, defaults to 1): The size of kmer to generate.

    Returns:
        vocabulary (List[str]): The kmer vocabulary.
    """

    if nmers <= 1:
        return vocabulary

    special_tokens, tokens = [], []
    for token in vocabulary:
        if token.startswith("<") or token.startswith("["):
            special_tokens.append(token)
        else:
            tokens.append(token)

    return tuple(special_tokens) + tuple("".join(kmer) for kmer in product(tokens, repeat=nmers))


class Tokenizer(PreTrainedTokenizer):
    """
    Constructs a Base tokenizer.

    Args:
        alphabet: List of tokens or an Alphabet object to use in tokenization.
            Either alphabet or vocab_file must be specified.
        bos_token: A special token representing the beginning of a sequence.
        cls_token: A special token representing the classification token.
        pad_token: A special token representing padding.
        eos_token: A special token representing the end of a sequence.
        sep_token: A special token representing the separator token.
        unk_token: A special token representing unknown tokens.
        mask_token: A special token representing the mask token.
        null_token: A special token representing the null token.
        additional_special_tokens: Additional special tokens to add to the vocabulary.
        do_upper_case: Whether to convert input to uppercase.
        vocab_file: Path to a vocabulary file.
            Either alphabet or vocab_file must be specified.

    Examples:
        >>> from multimolecule.tokenisers import Tokenizer
        >>> tokenizer = Tokenizer(["A", "C", "G", "T", "N"], unk_token="N")
        >>> tokenizer('ACGTN')["input_ids"]
        [0, 1, 2, 3, 4]
        >>> tokenizer('acgtn')["input_ids"]
        [0, 1, 2, 3, 4]
        >>> len(tokenizer)
        5
        >>> tokenizer = Tokenizer(["A", "C", "G", "T", "N"], unk_token="N", do_upper_case=False)
        >>> tokenizer('ACGTN')["input_ids"]
        [0, 1, 2, 3, 4]
        >>> tokenizer('acgtn')["input_ids"]
        [4, 4, 4, 4, 4]
        >>> tokenizer('ACgtN')["input_ids"]
        [0, 1, 4, 4, 4]
        >>> tokenizer = Tokenizer(["<pad>", "<cls>", "A", "C", "G", "T", "N", "<mask>", "<eos>"])
        >>> tokenizer('ACGTN')["input_ids"]
        [1, 2, 3, 4, 5, 6, 8]
        >>> tokenizer('AC<mask>GTN')["input_ids"]
        [1, 2, 3, 7, 4, 5, 6, 8]
        >>> tokenizer(['TATATAT', 'ATCGN'], padding=True)["input_ids"]
        [[1, 5, 2, 5, 2, 5, 2, 5, 8], [1, 2, 5, 3, 4, 6, 8, 0, 0]]
    """

    model_input_names = ["input_ids", "attention_mask"]
    vocab_files_names = VOCAB_FILES_NAMES
    do_upper_case: bool = True

    def __init__(
        self,
        alphabet: Alphabet | List[str] | None = None,
        bos_token: str | None = ...,  # type: ignore[assignment]
        cls_token: str | None = ...,  # type: ignore[assignment]
        pad_token: str | None = ...,  # type: ignore[assignment]
        eos_token: str | None = ...,  # type: ignore[assignment]
        sep_token: str | None = ...,  # type: ignore[assignment]
        unk_token: str | None = ...,  # type: ignore[assignment]
        mask_token: str | None = ...,  # type: ignore[assignment]
        null_token: str | None = ...,  # type: ignore[assignment]
        additional_special_tokens: List | Tuple | None = None,
        do_upper_case: bool = True,
        vocab_file: str | None = None,
        **kwargs,
    ):
        if alphabet is None and vocab_file is None:
            raise ValueError("You must specify either alphabet or vocab_file")

        if vocab_file is not None:
            alphabet = self.load_vocabulary(vocab_file)

        self._id_to_token: OrderedDict[int, str] = OrderedDict(enumerate(alphabet))
        self._token_to_id: OrderedDict[str, int] = OrderedDict({tok: ind for ind, tok in enumerate(alphabet)})

        if cls_token is ...:
            cls_token = self.identify_special_token(alphabet, "cls")
        if bos_token is ...:
            bos_token = cls_token
        if pad_token is ...:
            pad_token = self.identify_special_token(alphabet, "pad")
        if eos_token is ...:
            eos_token = self.identify_special_token(alphabet, "eos")
        if sep_token is ...:
            sep_token = self.identify_special_token(alphabet, "sep") or self.identify_special_token(alphabet, "eos")
        if unk_token is ...:
            unk_token = self.identify_special_token(alphabet, "unk")
        if mask_token is ...:
            mask_token = self.identify_special_token(alphabet, "mask")
        if null_token is ...:
            null_token = self.identify_special_token(alphabet, "null")
        additional_special_tokens = _merge_extra_special_tokens(additional_special_tokens, kwargs)
        if additional_special_tokens is None:
            additional_special_tokens = []
        if null_token in alphabet and null_token not in additional_special_tokens:  # type: ignore[operator]
            additional_special_tokens = list(additional_special_tokens)
            additional_special_tokens.append(null_token)

        super().__init__(
            bos_token=bos_token,
            cls_token=cls_token,
            pad_token=pad_token,
            eos_token=eos_token,
            sep_token=sep_token,
            unk_token=unk_token,
            mask_token=mask_token,
            additional_special_tokens=additional_special_tokens,
            **kwargs,
        )
        self.do_upper_case = do_upper_case
        self._id_to_token.update(self.added_tokens_decoder)
        self._token_to_id.update(self.added_tokens_encoder)

        # TODO, all the tokens are added? But they are also part of the vocab... bit strange.
        # none of them are special, but they all need special splitting.

        # self.unique_no_split_tokens = self.all_tokens
        # self._update_trie(self.unique_no_split_tokens)

    def _tokenize(self, text: str, **kwargs):
        if self.do_upper_case:
            text = text.upper()
        return list(text)

    def _convert_token_to_id(self, token: str) -> int:
        id = self._token_to_id.get(token, self.unk_token_id)
        if id is None:
            raise ValueError(f"Token {token} is not in the vocabulary, and no UNK token is set!")
        return id

    def _convert_id_to_token(self, index: int) -> str:
        token = self._id_to_token.get(index, self.unk_token)
        if token is None:
            raise ValueError(f"ID {index} is not in the vocabulary, and no UNK token is set!")
        return token

    def token_to_id(self, token: str) -> int:
        return self._convert_token_to_id(token)

    def id_to_token(self, index: int) -> str:
        return self._convert_id_to_token(index)

    def build_inputs_with_special_tokens(
        self, token_ids_0: List[int], token_ids_1: List[int] | None = None
    ) -> List[int]:
        bos = [self.bos_token_id]  # points to cls
        sep = [self.sep_token_id]  # points to eos
        eos = [self.eos_token_id]  # eos is eos
        if token_ids_1 is None:
            if self.bos_token_id is None:
                if self.eos_token_id is None:
                    return token_ids_0
                return token_ids_0 + eos
            if self.eos_token_id is None:
                return bos + token_ids_0
            return bos + token_ids_0 + eos
        if self.eos_token_id is None:
            raise ValueError("Cannot tokenize multiple sequences when EOS token is not set!")
        return bos + token_ids_0 + sep + token_ids_1 + eos

    def get_special_tokens_mask(
        self, token_ids_0: List[int], token_ids_1: List[int] | None = None, already_has_special_tokens: bool = False
    ) -> List[int]:
        """
        Retrieves sequence ids from a token list that has no special tokens added. This method is called when adding
        special tokens using the tokenizer `prepare_for_model` or `encode_plus` methods.

        Args:
            token_ids_0 (`List[int]`):
                List of ids of the first sequence.
            token_ids_1 (`List[int]`, *optional*):
                List of ids of the second sequence.
            already_has_special_tokens (`bool`, *optional*, defaults to `False`):
                Whether or not the token list is already formatted with special tokens for the model.

        Returns:
            A list of integers in the range [0, 1]: 1 for a special token, 0 for a sequence token.
        """
        if already_has_special_tokens:
            if token_ids_1 is not None:
                raise ValueError(
                    "You should not supply a second sequence if the provided sequence of "
                    "ids is already formatted with special tokens for the model."
                )

            return [1 if token in self.all_special_ids else 0 for token in token_ids_0]
        mask = [0] * len(token_ids_0)
        if self.bos_token_id is not None:
            mask = [1] + mask
        if self.sep_token_id is not None:
            mask += [1]
        if token_ids_1 is not None:
            mask += [0] * len(token_ids_1)
            if self.eos_token_id is not None:
                mask += [1]
        return mask

    @staticmethod
    def load_vocabulary(vocab_file: str | Path) -> List[str]:
        with open(vocab_file, encoding="utf-8") as reader:
            vocabulary = reader.read().splitlines()
        return vocabulary

    def save_vocabulary(self, save_directory: str, filename_prefix: str | None = None):
        vocab_file = os.path.join(save_directory, (filename_prefix + "-" if filename_prefix else "") + "vocab.txt")
        with open(vocab_file, "w") as f:
            f.write("\n".join(self.all_tokens))
        return (vocab_file,)

    @staticmethod
    def identify_special_token(alphabet: Alphabet | List[str], token) -> str | None:
        tokens = [i for i in alphabet if token in i.lower()]
        if len(tokens) == 1:
            return tokens[0]
        if len(tokens) == 0:
            return None
        raise ValueError(f"Token {token} is ambiguous, could be {tokens}")

    def get_vocab(self):
        return dict(self.vocab, **self.added_tokens_encoder)

    @property
    def vocab(self) -> OrderedDict[str, int]:
        return self._token_to_id.copy()

    @property
    def all_tokens(self) -> List[str]:
        return list(self.get_vocab().keys())

    @property
    def vocab_size(self) -> int:
        return len(self.all_tokens)


class RnaTokenizer(Tokenizer):
    """
    Tokenizer for RNA sequences.

    Args:
        alphabet: alphabet to use for tokenization.

            - If is `None`, the standard RNA alphabet will be used.
            - If is a `string`, it should correspond to the name of a predefined alphabet. The options include
                + `standard`
                + `extended`
                + `streamline`
                + `nucleobase`
            - If is an alphabet or a list of characters, that specific alphabet will be used.
        nmers: Size of kmer to tokenize.
        codon: Whether to tokenize into codons.
        replace_T_with_U: Whether to replace T with U.
        do_upper_case: Whether to convert input to uppercase.

    Examples:
        >>> from multimolecule import RnaTokenizer
        >>> tokenizer = RnaTokenizer()
        >>> tokenizer('<pad><cls><eos><unk><mask><null>ACGUNRYSWKMBDHV.X*-I')["input_ids"]
        [1, 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 2]
        >>> tokenizer('acgu')["input_ids"]
        [1, 6, 7, 8, 9, 2]
        >>> tokenizer('acgt')["input_ids"]
        [1, 6, 7, 8, 9, 2]
        >>> tokenizer = RnaTokenizer(replace_T_with_U=False)
        >>> tokenizer('acgt')["input_ids"]
        [1, 6, 7, 8, 3, 2]
        >>> tokenizer = RnaTokenizer(nmers=3)
        >>> tokenizer('uagcuuauc')["input_ids"]
        [1, 83, 17, 64, 49, 96, 84, 22, 2]
        >>> tokenizer = RnaTokenizer(codon=True)
        >>> tokenizer('uagcuuauc')["input_ids"]
        [1, 83, 49, 22, 2]
        >>> tokenizer('uagcuuauca')["input_ids"]
        Traceback (most recent call last):
        ValueError: length of input sequence must be a multiple of 3 for codon tokenization, but got 10
    """

    model_input_names = ["input_ids", "attention_mask"]

    def __init__(
        self,
        alphabet: Alphabet | str | List[str] | None = None,
        nmers: int = 1,
        codon: bool = True,
        replace_T_with_U: bool = True,
        do_upper_case: bool = True,
        additional_special_tokens: List | Tuple | None = None,
        **kwargs,
    ):
        if codon and (nmers > 1 and nmers != 3):
            raise ValueError("Codon and nmers cannot be used together.")
        if codon:
            nmers = 3  # set to 3 to get correct vocab
        if not isinstance(alphabet, Alphabet):
            alphabet = get_alphabet(alphabet, nmers=nmers)
        additional_special_tokens = _merge_extra_special_tokens(additional_special_tokens, kwargs)
        super().__init__(
            alphabet=alphabet,
            nmers=nmers,
            codon=codon,
            replace_T_with_U=replace_T_with_U,
            do_upper_case=do_upper_case,
            additional_special_tokens=additional_special_tokens,
            **kwargs,
        )
        self.replace_T_with_U = replace_T_with_U
        self.nmers = nmers
        self.codon = codon

    def _tokenize(self, text: str, **kwargs):
        if self.do_upper_case:
            text = text.upper()
        if self.replace_T_with_U:
            text = text.replace("T", "U")
        if self.codon:
            if len(text) % 3 != 0:
                raise ValueError(
                    f"length of input sequence must be a multiple of 3 for codon tokenization, but got {len(text)}"
                )
            return [text[i : i + 3] for i in range(0, len(text), 3)]
        if self.nmers > 1:
            return [text[i : i + self.nmers] for i in range(len(text) - self.nmers + 1)]  # noqa: E203
        return list(text)


class RotaryEmbedding(nn.Module):
    """
    Rotary position embeddings based on those in
    [RoFormer](https://huggingface.co/docs/transformers/model_doc/roformer).

    Query and keys are transformed by rotation
    matrices which depend on their relative positions.

    Tip: **Cache**
        The inverse frequency buffer is cached and updated only when the sequence length changes or the device changes.

    Success: **Sequence Length**
        Rotary Embedding is irrespective of the sequence length and can be used for any sequence length.
        Use the `scale` parameter to extend context length beyond training (e.g., scale=2.0 doubles effective context).

    Example:
        >>> embedding = RotaryEmbedding(embedding_dim=64)
        >>> query, key = torch.randn(2, 4, 28, 64), torch.randn(2, 4, 28, 64)
        >>> query, key = embedding(query, key)
        >>> query.shape
        torch.Size([2, 4, 28, 64])
        >>> # For extended context length
        >>> embedding_extended = RotaryEmbedding(embedding_dim=64, scale=2.0)
        >>> embedding.state_dict()  # no weight in state_dict
        OrderedDict()
    """

    _seq_len_cached: int | None = None
    _cos_cached: Tensor | None = None
    _sin_cached: Tensor | None = None

    def __init__(
        self,
        embedding_dim: int,
        base: float = 10000.0,
        scale: float = 1.0,
        dtype: torch.dtype = torch.float32,
    ):
        """
        Initialize rotary position embeddings.

        Args:
            embedding_dim: Dimension of the embeddings (must be even)
            base: Base for computing inverse frequencies. Defaults to 10000.0.
            scale: Scaling factor for frequencies. Values > 1.0 extend context length
                   (e.g., scale=2.0 doubles the effective context). Defaults to 1.0.
            dtype: Data type for computations. Defaults to torch.float32.
        """
        super().__init__()
        inv_freq = 1.0 / (base ** (torch.arange(0, embedding_dim, 2, dtype=dtype) / embedding_dim))
        self.register_buffer("inv_freq", inv_freq, persistent=False)
        self.scale = scale

    def forward(self, q: Tensor, k: Tensor, offset: int = 0, seq_length: int | None = None) -> Tuple[Tensor, Tensor]:
        """
        Apply rotary position embeddings to query and key tensors.

        Args:
            q: Query tensor of shape `(batch_size, num_heads, seq_length, embedding_dim)`
            k: Key tensor of shape `(batch_size, num_heads, seq_length, embedding_dim)`
            offset: Position offset for the start of the sequence (used with past_key_values).
                    Defaults to 0.
            seq_length: Full sequence length including offset. If None, uses the sequence length
                    from the input tensors. Required when offset > 0.

        Returns:
            Tuple of (rotated_query, rotated_key) tensors with the same shapes as inputs.
        """
        if offset > 0 and seq_length is None:
            raise ValueError("seq_length must be provided when offset > 0")

        if seq_length is None:
            seq_length = k.shape[-2]

        self._update_cos_sin_tables(k, seq_len_dim=-2, seq_length=seq_length)
        return self.apply_rotary_pos_emb(q, offset=offset), self.apply_rotary_pos_emb(k, offset=offset)

    def _update_cos_sin_tables(
        self, x: Tensor, seq_len_dim: int = 2, seq_length: int | None = None
    ) -> Tuple[Tensor, Tensor]:
        """
        Update cached cos/sin tables for rotary embeddings.

        Args:
            x: Input tensor to determine device and dtype
            seq_len_dim: Dimension containing sequence length (default: -2)
            seq_length: Full sequence length to cache. If None, uses x.shape[seq_len_dim]
        """
        if seq_length is None:
            seq_length = x.shape[seq_len_dim]

        if seq_length != self._seq_len_cached or self._cos_cached is None or self._cos_cached.device != x.device:
            self._seq_len_cached = seq_length
            inv_freq = self.inv_freq
            if not isinstance(inv_freq, Tensor):
                raise RuntimeError("inv_freq buffer is not a Tensor")
            t = torch.arange(seq_length, device=x.device, dtype=inv_freq.dtype)
            # Apply scaling: divide frequencies by scale to extend context length
            freqs = torch.outer(t, inv_freq) / self.scale
            emb = torch.cat((freqs, freqs), dim=-1).to(x.device)
            self._cos_cached = emb.cos()[None, None, :, :]
            self._sin_cached = emb.sin()[None, None, :, :]
        # At this point, _cos_cached and _sin_cached are guaranteed to be Tensor
        assert self._cos_cached is not None and self._sin_cached is not None
        return self._cos_cached, self._sin_cached

    def apply_rotary_pos_emb(self, x: Tensor, offset: int = 0) -> Tensor:
        """
        Apply rotary position embeddings to a tensor.

        Args:
            x: Input tensor of shape `(batch_size, num_heads, seq_length, embedding_dim)`
            offset: Position offset for the start of the sequence (used with past_key_values).
                    Defaults to 0.

        Returns:
            Rotated tensor with the same shape as input.
        """
        if self._cos_cached is None or self._sin_cached is None:
            raise RuntimeError("Cos/sin tables not initialized. Call forward() or _update_cos_sin_tables() first.")

        cos = self._cos_cached[:, :, offset : offset + x.shape[-2], :]
        sin = self._sin_cached[:, :, offset : offset + x.shape[-2], :]
        return (x * cos) + (self.rotate_half(x) * sin)

    @staticmethod
    def rotate_half(x: Tensor) -> Tensor:
        x1, x2 = x.chunk(2, dim=-1)
        return torch.cat((-x2, x1), dim=-1)