Recent advancements in computational chemistry utilize transformer-based models pre-trained on Simplified Molecular Input Line Entry System (SMILES) sequences to predict molecular properties. To ...
Machine learning (ML) offers considerable promise for the design of new molecules and materials. In real-world applications, the design problem is often domain-specific, and suffers from insufficient ...
Some results have been hidden because they may be inaccessible to you
Show inaccessible results