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Expose the Space as an MCP server for agent use
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Add job timeout, rate limit, anonymous usage metrics
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Sync SDF 3D preview + diagnostic logging to the Space
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Add Jorgensen & Tirado-Rives 2005 PNAS OPLS-AA citation to References
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Add References section under Results (matches CLI's citations)
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Increase Step 1/Step 2/Results section-label font size
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Redesign UI: custom theme/typography, forced light mode, fix Ketcher dark-mode contrast bug
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Support SMILES+PDB bond-order/H fix (mol_boss.convert_pdb2mol_with_smiles)
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Upload folder using huggingface_hub
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Upload folder using huggingface_hub
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Upload folder using huggingface_hub
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Upload folder using huggingface_hub