A chapter outline is provided below. The book starts with a streamlined introduction to Python for chemists followed by introducing powerful computing tools and numerous applications to chemistry. This book assumes that the student or reader has no prior programming experience and has at least one ye...
java gis scientific-computing meteorology scientific jython Updated May 3, 2025 Java magpylib / magpylib Star 271 Code Issues Pull requests Discussions Python package for computation of magnetic fields of magnets, currents and moments. physics scientific magnetism physics-simulation electromagnetism ...
We've simplified the presentation and improved navigation for a seamless experience. The guide is now written in easier-to-understand technical English, with new features like gifs and potential video integration. Readable formulas and convenient code boxes with a copy button make it easier to use...
However, it comes at a significant cost increase over the Meta and HTC offerings with the standard price at around $6,000 and going up from there depending on configuration, annual maintenance and accessories. You will also need more computing power for effective utilization of this high-end ...
Mayavi is a modern and free scientific data visualizer to create interactive 3D plots. It provides a rich graphical user interface which uses VTK. The program is written in Python and distributed under theBSD license. You can make publication-quality graphs or plots through Mayavi. Also, it let...
using well-defined standard force fields (e.g., CHARMM or Stillinger-Weber). Quantities of interest are typically computed during MD simulations (e.g., liquid densities). For flexibility, full trajectory files should also be stored but some important observables might be worth precomputing (e...
Here, we present Guided Photometry Analysis in Python (GuPPy), a free and open-source FP analysis tool. GuPPy is designed to operate across computing platforms and can accept data from a variety of FP data acquisition systems. The program presents users with a set of graphic user interfaces ...
When a specific feature exhibits a variance of 0, it signifies that the data associated with both malicious and benign traffic for that particular feature are similar and, as a result, do not provide any distinctive information to aid the model’s predictive capabilities. After computing the ...
We evaluated the performance of our machine learning model by computing the following metric values: a micro-average, in which all annotations contribute equally to the obtained metric value, was computed for the accuracy. In order to balance inequalities in the number of recordings across organ cl...
such as DBAASP28, CAMP29and Hemolytik30, we have exploited the available data to train a deep neural network that classifies peptides as hemolytic or non-hemolytic based on their primary sequence. Herein we present a novel method for the prediction of the hemolytic activity of antimicrobial pe...