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Italo's Projects

deepdrugdomain icon deepdrugdomain

DeepDrugDomain: A versatile Python toolkit for streamlined preprocessing and accurate prediction of drug-target interactions and binding affinities, leveraging deep learning for advancing computational drug discovery.

dynamicbind icon dynamicbind

repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model

esm icon esm

Evolutionary Scale Modeling (esm): Pretrained language models for proteins

geo-three icon geo-three

Tile based geographic world map visualization library for threejs

otter-knowledge icon otter-knowledge

Knowledge-enhanced learned representation enriches protein sequence and SMILES drug databases with a large Knowledge Graph fused from different sources. This improves results on TDC drug target binding affinity prediction benchmarks.

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