chemistry
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- license: mit
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+ license: mit
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+ ---
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+ # Molecule Detection YOLO in MolParser
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+ From paper: *MolParser: End-to-end Visual Recognition of Molecule Structures in the Wild*
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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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+ | ---- | ----- | -------- |
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+ |n | 0.9581 |0.85235 |
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+ |s|0.96522|0.87038 |
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+ |m|0.96857|0.87355 |
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+ |l|0.98912|0.90282 |
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+ ## PDF molecule detection
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+ `202503 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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+ |n|0.98714|0.87323 |
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+ |s|0.98512|0.88236 |
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+ |m|0.98671|0.89169 |
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+ |l|0.99125|0.90114 |