SELF-BART : A Transformer-based Molecular Representation Model using SELFIES
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arXiv
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| Main Authors: | Priyadarsini, Indra, Takeda, Seiji, Hamada, Lisa, Brazil, Emilio Vital, Soares, Eduardo, Shinohara, Hajime |
|---|---|
| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | |
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