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The FPS fingerprint format and chemfp toolkit.. J. Cheminformatics, 5 (S-1): 36 (2013)NAMD: a Parallel, Object-Oriented Molecular Dynamics Program., , , , , , and . Int. J. High Perform. Comput. Appl., 10 (4): 251-268 (1996)chemfp - fast and portable fingerprint formats and tools.. J. Cheminformatics, 3 (S-1): 12 (2011)Speech / gesture interface to a visual computing environment for molecular biologists, , , , , , , , , and 1 other author(s). International Conference on Pattern Recognition, Vienna, Austria, (1996)mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets., , and . J. Chem. Inf. Model., 58 (5): 902-910 (2018)VMD: Visual molecular dynamics, , and . Journal of Molecular Graphics, 14 (1): 33 - 38 (1996)The chemfp project.. J. Cheminformatics, 11 (1): 76 (2019)Biopython: freely available Python tools for computational molecular biology and bioinformatics., , , , , , , , , and 1 other author(s). Bioinform., 25 (11): 1422-1423 (2009)FMCS: a novel algorithm for the multiple MCS problem., and . J. Cheminformatics, 5 (S-1): 6 (2013)Correction to: The chemfp project.. J. Cheminformatics, 12 (1): 59 (2020)