Search Results for author: Jeff Guo

Found 2 papers, 1 papers with code

Beam Enumeration: Probabilistic Explainability For Sample Efficient Self-conditioned Molecular Design

1 code implementation25 Sep 2023 Jeff Guo, Philippe Schwaller

Generative molecular design has moved from proof-of-concept to real-world applicability, as marked by the surge in very recent papers reporting experimental validation.

Augmented Memory: Capitalizing on Experience Replay to Accelerate De Novo Molecular Design

no code implementations10 May 2023 Jeff Guo, Philippe Schwaller

Molecular generative models have shown remarkable sample efficiency when coupled with reinforcement learning, as demonstrated in the Practical Molecular Optimization (PMO) benchmark.

Data Augmentation Drug Discovery

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