SandboxAQ/AQAffinity

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).

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…

Deep learning library for Chemistry based on Tensorflow

### Model Overview TabPFN-3 is a transformer-based foundation model that uses in-context-learning to solve tabular prediction problems in a forward pass. Inference code can be found at https://github.com/PriorLabs/TabPFN. More details can be found in the Model Report.

Accurate prediction of drug-target binding affinity is essential in the early stages of drug discovery. This is an example of finetuning ibm/biomed.omics.bl.sm-ted-400 the task. Prediction of binding affinities using pKd, the negative logarithm of the dissociation constant, which reflects the…

# ibm/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-HIV-101 biomed.sm.mv-te-84m is a multimodal biomedical foundation model for small molecules created using MMELON (Multi-view Molecular Embedding with Late Fusion), a flexible approach to aggregate multiple views (sequence, image, graph) of…