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Unified deep learning framework for many-body quantum chemistry via Green’s functions
4小时前
已完结
Molybdenum Carbonyl Complexes with Benzimidazole Derivatives Against SARS-CoV-2 by Molecular Docking and DFT/TDDFT Methods
20天前
已完结
Simulating 500 million years of evolution with a language model
4个月前
已完结
Polymer-based Organic Room-temperature Phosphorescent Materials
5个月前
已完结
High-throughput property-driven generative design of functional organic molecules
8个月前
已完结
AUTOCORRELATION FUNCTIONS OF TRANSLATIONAL AND ROTATIONAL VELOCITIES IN MOLECULAR DYNAMIC MODELS OF WATER AND THEIR SPECTRA
8个月前
已完结
Designing catalysts via evolutionary-based optimization techniques
1年前
已完结
Structure of a fungal 1,3-β-glucan synthase
1年前
已完结
Structural and mechanistic insights into fungal β-1,3-glucan synthase FKS1
1年前
已完结
CADD, AI and ML in drug discovery: A comprehensive review
1年前
已完结
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