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AtomNet PoseRanker: Enriching Ligand Pose Quality for Dynamic Proteins in Virtual High-Throughput Screens.

, , , and . J. Chem. Inf. Model., 62 (5): 1178-1189 (2022)

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AtomNet PoseRanker: Enriching Ligand Pose Quality for Dynamic Proteins in Virtual High-Throughput Screens., , , and . J. Chem. Inf. Model., 62 (5): 1178-1189 (2022)ATOM3D: Tasks On Molecules in Three Dimensions., , , , , , , , , and 2 other author(s). CoRR, (2020)An efficient graph generative model for navigating ultra-large combinatorial synthesis libraries., , , , and . NeurIPS, (2022)Covariant Compositional Networks For Learning Graphs., , , , and . ICLR (Workshop), OpenReview.net, (2018)Density Waves and Jet Emission Asymmetry in Bose Fireworks, , , , , , , and . Phys. Rev. Lett., (December 2018)ATOM3D: Tasks on Molecules in Three Dimensions., , , , , , , , , and 3 other author(s). NeurIPS Datasets and Benchmarks, (2021)Cormorant: Covariant Molecular Neural Networks., , and . NeurIPS, page 14510-14519. (2019)A community-powered search of machine learning strategy space to find NMR property prediction models., , , , , , , , , and 19 other author(s). CoRR, (2020)Lorentz Group Equivariant Neural Network for Particle Physics., , , , , and . ICML, volume 119 of Proceedings of Machine Learning Research, page 992-1002. PMLR, (2020)Magnetically Generated Spin-Orbit Coupling for Ultracold Atoms, , and . Phys. Rev. Lett., (September 2013)