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Jiaqi Guan

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@guanjq

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guanjq.github.io/

targetdiff. The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)

343

confopt_official. The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)

36

LinkerNet. The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)

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