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Crystal properties
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Analyze crystal properties from files
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Generative models deep learning scientific discovery language models molecular machine learning
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9
Regression Transformer
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Generate or predict molecular structures
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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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2
TorchDrug
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Generate molecular structures for drug discovery
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1
MoLeR
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Generate molecular structures using scaffolds and seed molecules
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17
Multitask Text and Chemistry T5
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Generate text or molecules based on input prompts
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REINVENT
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Generate molecular structures based on a primer SMILES
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2
Polymer Blocks
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Generate polymer sequences for materials science
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1
PaccMann^RL
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Generate molecular structures based on protein or gene expression data
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4
PGT - Patent Generative Transformers
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PatentToolkit
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Running
8
Molecular properties
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Predict molecular properties from SMILES strings
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1
GeoDiff
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5
Protein properties
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Predict protein properties from sequences
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Diffusers
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Generate images from text prompts
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4
KeyBERT
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Extract keywords from text
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1
HF Transformers
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Generate text based on a prompt
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3
Advanced Manufacturing
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Generate catalysts for advanced manufacturing
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