arXiv Machine Learning By Yan-Shiun Wu, Sai Mahit Vaddadi, Zachary A. Rollins, Nathan A. Morin

Model Gateway: Management Platform for Model-Driven Drug Discovery

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arXiv:2512. 05462v2 Announce Type: replace-cross Abstract: Pharmaceutical drug discovery demands machine learning (ML) infrastructure that goes beyond general-purpose Machine Learning Operations (MLOps): inference-time composition of multiple models for multi-parameter optimization (MPO), version management for physics-based models without serialized ML artifacts, enterprise compound library precomputation, and governance structured around scientific organizational units rather than generic access controls.

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