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Development and testing of a general amber force field
Abstract We describe here a general Amber force field (GAFF) for organic molecules. GAFF is designed to be compatible with existing Amber force fields for proteins and nucleic a...
YOLO9000: Better, Faster, Stronger
We introduce YOLO9000, a state-of-the-art, real-time object detection system that can detect over 9000 object categories. First we propose various improvements to the YOLO detec...
Environmental Applications of Semiconductor Photocatalysis
The civilian, commercial, and defense sectors of most advanced industrialized nations are faced with a tremendous set of environmental problems related to the remediation of haz...
Rapid object detection using a boosted cascade of simple features
This paper describes a machine learning approach for visual object detection which is capable of processing images extremely rapidly and achieving high detection rates. This wor...
GROMACS: Fast, flexible, and free
Abstract This article describes the software suite GROMACS (Groningen MAchine for Chemical Simulation) that was developed at the University of Groningen, The Netherlands, in the...
A unified formulation of the constant temperature molecular dynamics methods
Three recently proposed constant temperature molecular dynamics methods by: (i) Nosé (Mol. Phys., to be published); (ii) Hoover et al. [Phys. Rev. Lett. 48, 1818 (1982)], and Ev...
Genetic Algorithms in Search, Optimization and Machine Learning
David Goldberg's Genetic Algorithms in Search, Optimization and Machine Learning is by far the bestselling introduction to genetic algorithms. Goldberg is one of the preeminent ...
Xception: Deep Learning with Depthwise Separable Convolutions
We present an interpretation of Inception modules in convolutional neural networks as being an intermediate step in-between regular convolution and the depthwise separable convo...
Prokka: rapid prokaryotic genome annotation
Abstract Summary: The multiplex capability and high yield of current day DNA-sequencing instruments has made bacterial whole genome sequencing a routine affair. The subsequent d...
Cancer statistics, 2022
Abstract Each year, the American Cancer Society estimates the numbers of new cancer cases and deaths in the United States and compiles the most recent data on population‐based c...