bmiles/chem-clin-2

This model is a BERT-like sequence classifier for 221 human protein drug targets, fine-tuned from gbyuvd/chemselfies-base-bertmlm on a dataset derived ChemBL34 (Zdrazil et al. 2023). It predicts potential drug targets using chemical structures represented as SELFIES (Self-Referencing Embedded…

ChemFIE-SA is a BERT-like sequence classifier for predicting synthesis accessibility given a SELFIES string of a compound, fine-tuned from gbyuvd/chemselfies-base-bertmlm on DeepSA's expanded dataset from Wang et al. 2023.

Question Answering Model for the PathoTHREAT Project

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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.