conftrace_

conformational sampling

2 papers

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Co-occurring keywords · papers mentioning both

torsional diffusion (1) side chain packing (1) backbone conformation (1) fragment configuration (1) angle accuracy (1) molecular conformation (1) graph neural network (1) protein side-chain packing (1) conformation generation (1) drug discovery (1)

Papers

DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing NeurIPS 2023 Regularized Molecular Conformation Fields NeurIPS 2022