File size: 1,428 Bytes
db32e07 | 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 | from __future__ import annotations
from dataclasses import dataclass
from typing import Iterable, List, Optional
from .prompt import format_chat_example, format_molt5_prompt
@dataclass
class RAGExample:
spectrum_id: str
spectrum_token: str
context_smiles: List[str]
target_smiles: Optional[str]
def as_molt5(self) -> dict:
return {
"spectrum_id": self.spectrum_id,
"input_text": format_molt5_prompt(
self.spectrum_token, self.context_smiles, self.target_smiles
),
"target_text": self.target_smiles or "",
}
def as_chat(self) -> dict:
return {
"spectrum_id": self.spectrum_id,
"messages": format_chat_example(
self.spectrum_token, self.context_smiles, self.target_smiles
),
}
def build_examples(
spectrum_ids: Iterable[str],
spectrum_token: str,
contexts: List[List[str]],
targets: Optional[List[str]] = None,
) -> List[RAGExample]:
examples: List[RAGExample] = []
for i, sid in enumerate(spectrum_ids):
target = targets[i] if targets is not None else None
examples.append(
RAGExample(
spectrum_id=str(sid),
spectrum_token=spectrum_token,
context_smiles=contexts[i],
target_smiles=target,
)
)
return examples
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