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Crystal properties
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AI & ML interests
Generative models deep learning scientific discovery language models molecular machine learning
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Regression Transformer
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Generate or predict molecular structures with properties
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MOSES
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PaccMann^GP
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Generate molecular compounds based on property goals
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TorchDrug
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MoLeR
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Generate molecular structures using scaffolds and seed molecules
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Multitask Text and Chemistry T5
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Generate text based on chemistry and language tasks
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REINVENT
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Generate molecular structures based on a SMILES string
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Polymer Blocks
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PaccMann^RL
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PGT - Patent Generative Transformers
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PatentToolkit
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Molecular properties
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Predict molecular properties from SMILES
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GeoDiff
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Protein properties
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Diffusers
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KeyBERT
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Generate keywords from text
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HF Transformers
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Generate text using various HuggingFace models
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Advanced Manufacturing
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README
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