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Awesome Molecular Docking ⭐ 85

We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.

Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G protein-coupled receptors (GPCRs).

Computational Analysis of Novel Drug Opportunities

Diffusion Hopping ⭐ 9

DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping

Deep Purpose Tutorial ⭐ 9

Repository for the HackBio'2021 Internship for Team Drug-Development-A

Predictors for Blood-Brain Barrier Permeability with resampling strategies based on B3DB database.

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