SandboxAQ/AQAffinity

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-BED is a sentence-transformers based on gbyuvd/chemselfies-base-bertmlm fine-tuned on around (for now) 2 million pairs of valid molecules' SELFIES (Krenn et al. 2020) taken from COCONUTDB (Sorokina et al. 2021) and ChemBL34 (Zdrazil et al. 2023).

BioMatrix is a multimodal biological foundation model that natively integrates 1D sequences, 3D structures, and natural language for both molecules and proteins within a single decoder-only architecture.