seyonec/ChemBERTa-zinc-base-v1
Deep learning for chemistry and materials science remains a novel field with lots of potiential. However, the popularity of transfer learning based methods in areas such as NLP and computer vision have not yet been effectively developed in computational chemistry + machine learning.
README
tags: chemistry ChemBERTa: Training a BERT-like transformer model for masked language modelling of chemical SMILES strings. Deep learning for chemistry and materials science remains a novel field with lots of potiential. However, the popularity of transfer learning based methods in areas such as NLP and computer vision have not yet been effectively developed in computational chemistry + machine learning. Using HuggingFace's suite of models and the ByteLevel tokenizer, we are able to train on a…
Source attribution
- HuggingFace — seyonec/ChemBERTa-zinc-base-v1
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