LipidBERT: A Lipid Language Model Pre-trained on METiS de novo Lipid Library
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arXiv
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| Main Authors: | Yu, Tianhao, Yao, Cai, Sun, Zhuorui, Shi, Feng, Zhang, Lin, Lyu, Kangjie, Bai, Xuan, Liu, Andong, Zhang, Xicheng, Zou, Jiali, Wang, Wenshou, Lai, Chris, Wang, Kai |
|---|---|
| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | |
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