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ChemBERTa: Large-Scale Self-Supervised Pretraining for Molecular Property Prediction
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Bringing Atomistic Deep Learning to Prime Time
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FastFlows: Flow-Based Models for Molecular Graph Generation
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Score-Based Generative Models for Molecule Generation
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ChemBERTa-2: Towards Chemical Foundation Models
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AutoMat: Automated materials discovery for electrochemical systems
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Scientific discovery in the age of artificial intelligence
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