Lv11
8 积分 2025-10-07 加入
Unified deep learning framework for many-body quantum chemistry via Green’s functions
1小时前
待确认
Extending atomic decomposition and many-body representation with a chemistry-motivated approach to machine learning potentials
5小时前
已完结
Role of the human-in-the-loop in emerging self-driving laboratories for heterogeneous catalysis
5个月前
已完结
TANGO: direct optimization of constrained synthesizability for generative molecular design
7个月前
已完结
PocketFlow is a data-and-knowledge-driven structure-based molecular generative model
7个月前
已完结
Liquid-liquid equilibrium data: Their retrieval, correlation and prediction Part I: Retrieval
9个月前
已完结
An adaptive graph learning method for automated molecular interactions and properties predictions
9个月前
已完结
SurFF: a foundation model for surface exposure and morphology across intermetallic crystals
1年前
已完结
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