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CAMPAIGN: an open-source library of GPU-accelerated data clustering algorithms., , , , and . Bioinformatics, 27 (16): 2321-2322 (2011)Persistent voids: a new structural metric for membrane fusion., , , , , and . Bioinformatics, 23 (14): 1753-1759 (2007)MDEntropy: Information-Theoretic Analyses for Molecular Dynamics., and . J. Open Source Software, 2 (19): 427 (2017)Osprey: Hyperparameter Optimization for Machine Learning., , , , , , , and . J. Open Source Software, 1 (5): 34 (2016)Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation., , , , and . CoRR, (2018)Hard Data on Soft Errors: A Large-Scale Assessment of Real-World Error Rates in GPGPU, and . CoRR, (2009)Note: Variational Encoding of Protein Dynamics Benefits from Maximizing Latent Autocorrelation., and . CoRR, (2018)Retrosynthetic reaction prediction using neural sequence-to-sequence models., , , , , , , , , and . CoRR, (2017)Step Change Improvement in ADMET Prediction with PotentialNet Deep Featurization., , , , and . CoRR, (2019)Decision functions from supervised machine learning algorithms as collective variables for accelerating molecular simulations., and . CoRR, (2018)