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SCISSORS: Practical Considerations., , and . Journal of Chemical Information and Modeling, 54 (1): 5-15 (2014)WILDS: A Benchmark of in-the-Wild Distribution Shifts., , , , , , , , , and 13 other author(s). ICML, volume 139 of Proceedings of Machine Learning Research, page 5637-5664. PMLR, (2021)Error Bounds on the SCISSORS Approximation Method., and . Journal of Chemical Information and Modeling, 51 (9): 2248-2253 (2011)Accelerating chemical similarity search using GPUs and metric embeddings.. Stanford University, USA, (2011)PAPER - Accelerating parallel evaluations of ROCS., and . J. Comput. Chem., 31 (1): 117-132 (2010)MSMBuilder2: Modeling Conformational Dynamics on the Picosecond to Millisecond Scale, , , , , and . Journal of Chemical Theory and Computation, 7 (10): 3412-3419 (2011)PMID: 22125474.SCISSORS: A Linear-Algebraical Technique to Rapidly Approximate Chemical Similarities., and . Journal of Chemical Information and Modeling, 50 (6): 1075-1088 (2010)Copernicus: a new paradigm for parallel adaptive molecular dynamics., , , , , , , , , and . SC, page 60:1-60:10. ACM, (2011)Hard Data on Soft Errors: A Large-Scale Assessment of Real-World Error Rates in GPGPU., and . CCGRID, page 691-696. IEEE Computer Society, (2010)RxRx1: A Dataset for Evaluating Experimental Batch Correction Methods., , , , , , , , , and 2 other author(s). CVPR Workshops, page 4285-4294. IEEE, (2023)