pdf2dataset/7758f6665e6f1e254a1c5ec32c77b1c5
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Deepchem
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ChemCrow
🐦23Generate chemical synthesis instructions and predictions
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RxnIM
💻7Parse chemical reaction images into structured data
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introvoyz041/Dwsim
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haydn-jones/ZINC20
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facebook/UMA
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xiegeo/uspto-mol
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VoMP
🚀8Volumetric physics materials for interactive worlds
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prov-gigatime/GigaTIME
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SZU-ADDG/ZINC-Curated
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OpenADMET PXR Blind Challenge
🔋37Explore the OpenADMET PXR prediction challenge
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MolGen
🧑7Generate and optimize molecular structures from SELFIES input
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Chemistry Synth
🐢Analyzing molecular geometry and synthesis.
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DreaMS
🔬12Match mass spectrometry samples to known compounds using deep learning