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jyaacoub / MutDTA

Improving the precision oncology pipeline by providing binding affinity purtubations predictions on a pirori identified cancer driver genes.
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ChemGPT ligand representation #20

Closed jyaacoub closed 10 months ago

jyaacoub commented 1 year ago

VAE for SMILE: https://arxiv.org/pdf/1905.13343.pdf

Graphs: https://towardsdatascience.com/basic-molecular-representation-for-machine-learning-b6be52e9ff76

jyaacoub commented 10 months ago

ChemGPT is a LLM pre-trained on SELFIES: https://huggingface.co/ncfrey/ChemGPT-4.7M Paper: https://chemrxiv.org/engage/chemrxiv/article-details/627bddd544bdd532395fb4b5

This was explored and completed by Aleem