aixk/BAAR3-drug-dti

A Deep Learning Library for Compound and Protein Modeling DTI, Drug Property, PPI, DDI, Protein Function Prediction.

Trinity-Mini-AI-Scientist

# ibm/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-MUV-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…

Target-Conditioned Molecular Ideation Model for Drug Discovery Research

# ibm/biomed.sm.mv-te-84m-MoleculeNet-ligand_scaffold-SIDER-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…

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…