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BERT_SMILES_LARGE
JuIm/BERT_SMILES_LARGE
BERT_SMILES_LARGE is a fill-mask model from JuIm. Use it when you need the model to fill a missing word. It is set up for transformers.
This model is a 83.5M parameter ROBERTA model fine tuned on a dataset of 1.1M SMILES (Simplified molecular-input line-entry system) for masked language modeling (MLM). This model builds on BERTSMILES which was fine tu…
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334 MB on disk
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At a glance
- Task
- Fill-Mask
- Library
- transformers
- Model type
- roberta
- Access
- Public
- Created
- Jan 10, 2024
- Updated
- Jan 21, 2025
- SHA
- cedce847
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Model card
From the Hugging Face model README
BERT_SMILES_LARGE
This model is a 83.5M parameter ROBERTA model fine tuned on a dataset of 1.1M SMILES (Simplified molecular-input line-entry system) for masked language modeling (MLM). This model builds on BERT_SMILES which was fine tuned on only 50k SMILES.
If you find this model useful, I would really appreciate you giving it a like!
Evaluation Loss: 0.482
Example:
Morphine
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
Intended uses & limitations
This model can now be used to predict physical or chemical properties with further training.
Framework versions
- Transformers 4.37.0.dev0
- Pytorch 2.1.0+cu121
- Tokenizers 0.15.0
- Task
- Fill-Mask
- Library
- transformers
- Type
- roberta
- Created
- Jan 10, 2024
- Updated
- Jan 21, 2025