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targetdiff. The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
343confopt_official. The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)
36LinkerNet. The official implementation of LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion (NeurIPS 2023 Spotlight)
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