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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...
Faster R-CNN: Towards Real-Time Object Detection with Region Proposal Networks
State-of-the-art object detection networks depend on region proposal algorithms to hypothesize object locations. Advances like SPPnet and Fast R-CNN have reduced the running tim...
Delving Deep into Rectifiers: Surpassing Human-Level Performance on ImageNet Classification
Rectified activation units (rectifiers) are essential for state-of-the-art neural networks. In this work, we study rectifier neural networks for image classification from two as...
Efficient Estimation of Word Representations in Vector Space
We propose two novel model architectures for computing continuous vector representations of words from very large data sets. The quality of these representations is measured in ...
Numerical recipes in C: the art of scientific computing
From the Publisher: This is the revised and greatly expanded Second Edition of the hugely popular Numerical Recipes: The Art of Scientific Computing. The product of a unique co...
Birds of a Feather: Homophily in Social Networks
Similarity breeds connection. This principle—the homophily principle—structures network ties of every type, including marriage, friendship, work, advice, support, information tr...
Statistical Methods for Rates and Proportions
Preface.Preface to the Second Edition.Preface to the First Edition.1. An Introduction to Applied Probability.2. Statistical Inference for a Single Proportion.3. Assessing Signif...
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...
Stochastic Relaxation, Gibbs Distributions, and the Bayesian Restoration of Images
We make an analogy between images and statistical mechanics systems. Pixel gray levels and the presence and orientation of edges are viewed as states of atoms or molecules in a ...