Bioinformatics中国科学通报:英文版Peer-reviewed
X-MOL: large-scale pre-training for molecular understanding and diverse molecular analysis
Dongyu Xue, Han Zhang, Xiaohan Chen…·Qi Liu
X-MOL uses large-scale pre-training on 1.1 billion molecules to improve molecular analysis tasks through fine-tuning, achieving state-of-the-art results in property prediction, reaction analysis, and molecule generation.
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