Quickstart
Install the inference dependencies:
pip install "transformers>=4.57.1" accelerate torch torchvision pillow
The inference interface follows Qwen3-VL. Use the OCSR prompt exactly as shown
below:
from transformers import AutoProcessor, Qwen3VLForConditionalGeneration
model_id = "PatSnap/Hiro-OCSR"
model = Qwen3VLForConditionalGeneration.from_pretrained(
model_id,
dtype="auto",
device_map="auto",
)
processor = AutoProcessor.from_pretrained(model_id)
messages = [
{
"role": "user",
"content": [
{
"type": "image",
"image": "path/to/chemical-structure.png",
},
{
"type": "text",
"text": "Convert chemical structure in this image to SMILES.",
},
],
}
]
inputs = processor.apply_chat_template(
messages,
tokenize=True,
add_generation_prompt=True,
return_dict=True,
return_tensors="pt",
)
inputs = inputs.to(model.device)
generated_ids = model.generate(
**inputs,
max_new_tokens=1024,
do_sample=False,
)
generated_ids_trimmed = [
output_ids[len(input_ids) :]
for input_ids, output_ids in zip(inputs.input_ids, generated_ids)
]
output_text = processor.batch_decode(
generated_ids_trimmed,
skip_special_tokens=True,
clean_up_tokenization_spaces=False,
)
print(output_text)
For the local SDK, chemical post-processing, structure validation, depiction,
and batch inference utilities, see the
Hiro-OCSR source repository.
Model details
- Base model: Qwen/Qwen3-VL-8B-Instruct
- Fine-tuning method: full-parameter fine-tuning
- Task: optical chemical structure recognition and image-to-SMILES generation
- Architecture: Qwen3VLForConditionalGeneration
- Recommended prompt:
Convert chemical structure in this image to SMILES.
- Release stage: early training
Limitations
This model may produce inaccurate, incomplete, misrecognized, improperly
canonicalized, or chemically invalid SMILES. Errors may include missing atoms
or bonds, incorrect stereochemistry, charges, isotopes, salts, abbreviations,
R-groups, variable attachments, repeat units, or reaction components.
Model outputs must be reviewed and validated before use in chemical analysis,
patent work, regulatory submissions, laboratory workflows, safety-critical
applications, database curation, or other professional contexts. Users are
responsible for ensuring they have the necessary rights to process input images
and documents.
See the full Disclaimer before using the model.
License and attribution
This model repository is made available under the Apache License 2.0. The model
is based on
Qwen3-VL-8B-Instruct;
review the base model card and its applicable terms as well.
See NOTICE for copyright, trademark, and attribution information.