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cs.LG2024
A survey of probabilistic generative frameworks for molecular simulations
Richard John, Lukas Herron, Pratyush Tiwary
Generative artificial intelligence is now a widely used tool in molecular science. Despite the popularity of probabilistic generative models, numerical experiments benchmarking the…
cond-mat.stat-mech2024★ 5 cited
Generative artificial intelligence for computational chemistry: a roadmap to predicting emergent phenomena
Pratyush Tiwary, Lukas Herron, Richard John +3
The recent surge in Generative Artificial Intelligence (AI) has introduced exciting possibilities for computational chemistry. Generative AI methods have made significant progress…