structure-based-drug-design topic
List
structure-based-drug-design repositories
DrugHIVE
105
Stars
16
Forks
105
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DrugHIVE: Structure-based drug design with a deep hierarchical generative model
NucleusDiff
27
Stars
3
Forks
27
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[PNAS 2025] The official implementation of the paper "Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design".
e3moldiffusion
18
Stars
2
Forks
18
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Research repository for diffusion based structure based drug design