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arxiv 2207.03928 v4 pith:OVWRCZ3O submitted 2022-07-08 cs.LG cs.AIcs.SE

Accelerating Material Design with the Generative Toolkit for Scientific Discovery

classification cs.LG cs.AIcs.SE
keywords discoveryscientificgenerativematerialacceleratedesignmodelspotential
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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With the growing availability of data within various scientific domains, generative models hold enormous potential to accelerate scientific discovery. They harness powerful representations learned from datasets to speed up the formulation of novel hypotheses with the potential to impact material discovery broadly. We present the Generative Toolkit for Scientific Discovery (GT4SD). This extensible open-source library enables scientists, developers, and researchers to train and use state-of-the-art generative models to accelerate scientific discovery focused on material design.

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