Lv62
2330 积分 2025-07-16 加入
PropMolFlow: property-guided molecule generation with geometry-complete flow matching
11天前
已完结
Leave-one-ion-out cross-validation for assisting in developing robust QSPR models of ionic liquids
28天前
已完结
BRICS-Based Generation and AI-Assisted Screening of Ionic Liquids with Mechanistic Insights into Lithium Transport in Electrolytes
29天前
已完结
Best practices for multi-fidelity Bayesian optimization in materials and molecular research
1个月前
已完结
Surrogate- and invariance-boosted contrastive learning for data-scarce applications in science
1个月前
已完结
Deep contrastive learning of molecular conformation for efficient property prediction
1个月前
已完结
Molecular contrastive learning of representations via graph neural networks
1个月前
已完结
Meta-analysis of ionic liquid literature and toxicology
1个月前
已完结
Toxicity and biodegradability of imidazolium ionic liquids
1个月前
已完结
How the structure of ionic liquid affects its toxicity to Vibrio fischeri?
1个月前
已完结
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