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@@ -22,4 +22,27 @@ Introduces contrastive learning alongside multi-task regression, and masked lang
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  ### Pretraining steps for this model:
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- - Pretrain BERT model with Masked language modeling with masked proportion set to 15% on Guacamol datasetFore more details please see our [github repository](https://github.com/uds-lsv/enumeration-aware-molecule-transformers).
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  ### Pretraining steps for this model:
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+ - Pretrain BERT model with Masked language modeling with masked proportion set to 15% on Guacamol datasetFore more details please see our [github repository](https://github.com/uds-lsv/enumeration-aware-molecule-transformers).
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+ - ### Virtual Screening Benchmark ([Github Repository](https://github.com/MoleculeTransformers/rdkit-benchmarking-platform-transformers))
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+ original version presented in
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+ S. Riniker, G. Landrum, J. Cheminf., 5, 26 (2013),
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+ DOI: 10.1186/1758-2946-5-26,
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+ URL: http://www.jcheminf.com/content/5/1/26
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+ extended version presented in
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+ S. Riniker, N. Fechner, G. Landrum, J. Chem. Inf. Model., 53, 2829, (2013),
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+ DOI: 10.1021/ci400466r,
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+ URL: http://pubs.acs.org/doi/abs/10.1021/ci400466r
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+
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+ ## Model List
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+ Our released models are listed as following. You can import these models by using the `smiles-featurizers` package or using [HuggingFace's Transformers](https://github.com/huggingface/transformers).
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+ | Model | Type |AUROC| BEDROC|
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+ |:-------------------------------|:--------:|:--------:|:--------:|
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+ | [UdS-LSV/smole-bert](https://huggingface.co/UdS-LSV/smole-bert) | `Bert`|0.615 | 0.225 |
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+ | [UdS-LSV/smole-bert-mtr](https://huggingface.co/UdS-LSV/smole-bert-mtr) | `Bert`|0.621 | 0.262 |
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+ | [UdS-LSV/smole-bart](https://huggingface.co/UdS-LSV/smole-bart) | `Bart`|0.660 | 0.263 |
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+ | [UdS-LSV/muv2x-simcse-smole-bart](https://huggingface.co/UdS-LSV/muv2x-simcse-smole-bert) | `Simcse`|0.697 | 0.270 |
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+ | [UdS-LSV/siamese-smole-bert-muv-1x](https://huggingface.co/UdS-LSV/siamese-smole-bert-muv-1x) | `SentenceTransformer`|0.673 | 0.274 |