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README.md
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@@ -8,15 +8,17 @@ From paper: "*MolParser: End-to-end Visual Recognition of Molecule Structures in
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We provide several [ultralytics YOLO11]((https://github.com/ultralytics/ultralytics)) weights for molecule detection with different size & input resolution.
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## general molecule detection
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`moldet_yolo11[size]_640_general.pt`
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* 640x640 input resolution
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* support handwritten molecules
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* multiscale input (inputs can be single/multiple molecular cutouts, reaction or table cutouts, or single-page PDF images)
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<span style='color:gray'>For single-molecule input (used as a classification model), appropriate padding can be added to enhance the performance.</span>
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Result in private testing:
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| size | map50 | map50-95 |
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model.predict("path/to/image.png", save=True, imgsz=640, conf=0.5)
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```
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## PDF molecule detection
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`moldet_yolo11[size]_960_doc.pt`
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* 960x960 input resolution
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* single page PDF image input
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Result in private testing:
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| size | map50 | map50-95 |
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| ---- | ----- | -------- |
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```python
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from ultralytics import YOLO
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model = YOLO("moldet_yolo11l_960_doc.pt")
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model.predict("path/to/pdf_page_image.png", save=True, imgsz=960, conf=0.5)
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We provide several [ultralytics YOLO11]((https://github.com/ultralytics/ultralytics)) weights for molecule detection with different size & input resolution.
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## general molecule structure detection models
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`moldet_yolo11[size]_640_general.pt`
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YOLO11 weights trained on 35k human annotated image crops and 100k generated images
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* 640x640 input resolution
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* support handwritten molecules
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* multiscale input (inputs can be single/multiple molecular cutouts, reaction or table cutouts, or single-page PDF images)
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<span style='color:gray'>Warning: For single-molecule input (used as a classification model), appropriate padding can be added to enhance the performance.</span>
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Result in private testing:
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| size | map50 | map50-95 |
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model.predict("path/to/image.png", save=True, imgsz=640, conf=0.5)
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```
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## PDF molecule structure detection models
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`moldet_yolo11[size]_960_doc.pt`
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YOLO11 weights trained on 26k human annotated PDF pages (patents, papers, and books)
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* 960x960 input resolution
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* single page PDF image input
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<span style='color:gray'>Warning: It is recommended to use MuPDF to render PDF pages at more than 144dpi.</span>
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Result in private testing:
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| size | map50 | map50-95 |
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| ---- | ----- | -------- |
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```python
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from ultralytics import YOLO
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model = YOLO("moldet_yolo11l_960_doc.pt")
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model.predict("path/to/pdf_page_image.png", save=True, imgsz=960, conf=0.5)
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```
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