Search Results for "properties"
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Showing 26 open source projects for "properties"
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MolecularGraph.jl
Graph-based molecule modeling toolkit for cheminformatics
MolecularGraph.jl is a graph-based molecule modeling and chemoinformatics analysis toolkit fully implemented in Julia. -
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Matplotlib
matplotlib: plotting with Python
Matplotlib is a comprehensive library for creating static, animated, and interactive visualizations in Python. Matplotlib makes easy things easy and hard things possible. Matplotlib ships with several add-on toolkits, including 3D plotting with mplot3d, axes helpers in axes_grid1 and axis helpers in axisartist. A large number of third party packages extend and build on Matplotlib functionality, including several higher-level plotting interfaces (seaborn, HoloViews, ggplot, ...), and a... -
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Distributions.jl
A Julia package for probability distributions and associated functions
A Julia package for probability distributions and associated functions. -
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Molly.jl
Molecular simulation in Julia
Much of science can be explained by the movement and interaction of molecules. Molecular dynamics (MD) is a computational technique used to explore these phenomena, from noble gases to biological macromolecules. Molly.jl is a pure Julia package for MD, and for the simulation of physical systems more broadly. The package is described in a talk at Enzyme Conference 2023 and an earlier talk at the JuliaMolSim minisymposium at JuliaCon 2022. Slides are also available for a tutorial in September... -
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Clapeyron
Framework for the development and use of fluid-thermodynamic models
Welcome to Clapeyron! This module provides both a large library of thermodynamic models and a framework for one to easily implement their own models. Clapeyron provides a framework for the development and use of fluid-thermodynamic models, including SAFT, cubic, activity, multi-parameter, and COSMO-SAC. -
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Observable Plot
A concise API for exploratory data visualization
...In the spirit of show don’t tell, below is a scatterplot of the height and weight of Olympic athletes (sourced from Matt Riggott), constructed using a dot mark. We assign columns of data (such as weight) to visual properties (such as the dot’s x), and Plot infers the rest. You can configure much more, if needed, but Plot’s goal is to help you get a meaningful visualization quickly. Plot employs a layered grammar of graphics inspired by Vega-Lite, ggplot2, Wilkinson’s Grammar of Graphics, and Bertin’s Semiology of Graphics. Plot rejects a chart typology in favor of marks, scales, and transforms. ... -
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LossFunctions.jl
Julia package of loss functions for machine learning
...It is thus intended to serve as a special purpose back-end for other ML libraries that require losses to accomplish their tasks. To that end we provide a considerable amount of carefully implemented loss functions, as well as an API to query their properties (e.g. convexity). Furthermore, we expose methods to compute their values, derivatives, and second derivatives for single observations as well as arbitrarily sized arrays of observations. In the case of arrays a user additionally has the ability to define if and how element-wise results are averaged or summed over. -
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ProbabilisticCircuits.jl
Probabilistic Circuits from the Juice library
...PCs are represented as computational graphs that define a joint probability distribution as recursive mixtures (sum units) and factorizations (product units) of simpler distributions (input units). Given certain structural properties, PCs enable different range of tractable exact probabilistic queries such as computing marginals, conditionals, maximum a posteriori (MAP), and more advanced probabilistic queries. -
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Charmol
Program for molecular graphics
...Charmol is capable of making pictures containing: - from small- to large-size molecules - more molecules together (different settings possible) - orbitals using molden and fchk files (GTO functions up to 'h' angular momentum supported) - surfaces using gaussian cube files (also color-mapped surfaces according to potential) - schematic representation of vibrations using arrows - user-defined arrows representing vectorial properties - measuring gauges - combinations of these features (more orbitals together, orbitals and arrows together etc.) Charmol allows for fine tuning of the final molecular design. -
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PeriodicTable.jl
Periodic Table for Julians
A very simple package for accessing elements in the Periodic Table. PeriodicTable.jl provides a Julia interface to a small database of element properties for all of the elements in the periodic table. In particular PeriodicTable exports a global variable called elements, which is a collection of Element data structures. -
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ipyvolume
3d plotting for Python in the Jupyter notebook
...Render in stereo, for virtual reality with Google Cardboard. Animate in d3 style, for instance, if the x coordinates or color of a scatter plots changes. Animations / sequences, all scatter/quiver plot properties can be a list of arrays, which can represent time snapshots. -
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TexGen is a geometric textile modelling software package to be used for obtaining engineering properties of woven textiles and textile composites. Citing TexGen We would be grateful if you could acknowledge use of TexGen where appropriate and suggest using one of the following references: L P Brown and A C Long. "Modelling the geometry of textile reinforcements for composites: TexGen", Chapter 8 in "Composite reinforcements for optimum performance (Second Edition)", ed. ...
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GPlates
Interactive visualization of plate tectonics.
GPlates is a plate-tectonics program. Manipulate reconstructions of geological and paleo-geographic features through geological time. Interactively visualize vector, raster and volume data. PyGPlates is the GPlates Python library. Get fine-grained access to GPlates functionality in your Python scripts. -
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graphdot
Visualize Go module dependencies in Graphviz DOT format
...For large graphs with many nodes of dependencies, you may want to generate an SVG file to allow you to zoom in with high fidelity and save disk space instead. If you like a more UML'ish style, you can use the provided graph properties from uml.gprops. -
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React-Vis
Data visualization components
...React-Vis charts are made of Series components, LineSeries, BarSeries and so on and so forth. Each of these Series components requires a data property, through which we pass an array of objects. These properties correspond to various visual characteristics of the corresponding marks. For example, x and y, which are required for most series types, affect the position of each mark. -
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xeogl
A WebGL-based 3D engine for technical visualization
...Transform hierarchies. Bounding volumes. 3D picking, raycasting. Screen capture. You can dynamically edit most things in your scene at runtime. Animate your scenes by updating the properties of their components. Load 3D models into your scene from glTF. -
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React Trend
Simple, elegant spark lines
...These are very simple and elegant visualizations, and they should not require a bloated graphing library to produce. React Trend is a concrete component that does 1 thing, and does it well, generate these trending graphs. By default, all properties not recognized by React Trend will be delegated to the SVG. The line inherits these properties if none of its own override them. -
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WebChemViewer
A simple program for sharing molecular structures with associated data
Sharing lists of molecular structures with associated chemical properties is a common task in computer-aided drug design and medicinal chemistry. WebChem Viewer is a simple, free, open-source program that generates HTML-formatted output that can be viewed in any modern web browser, on any operating system (including mobile), without requiring the installation of additional software. The output can also be easily incorporated into existing web pages. -
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Nuclei
Feature rich GUI for nuclear decay schemes
Nuclei is a software tool for the displaying of nuclear decay schemes and estimated energy spectra, the calculation of angular γ emission anisotropies, and the automated search for appropriate decay cascade properties. It uses the Evaluated Nuclear Structure Data Files (ENSDF). A description of Nuclei's functionality and results obtained using its search method was published in Nuclear Instruments and Methods in Physics Research, Section A: M. Nagl, et al., NIM A 726 (2013), 17-30 [doi:10.1016/j.nima.2013.05.045] ------------------------- © 2012-2013, Matthias Nagl, II. ... -
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WaveSorter
A powerful, versatile tool for offilne spike analysis and sorting
...Within the waveform space, cursor-based controls let the user select subregions of the waveform space or individual waveforms to view. The user may cluster waveforms manually or via one of several popular clustering programs. The classification along with waveform properties (width, etc.) can be saved to disk in simple text files. WaveSorter is written in C++, utilizes the GNU Scientific Library for all computation, and is highly parallelized; on modern hardware it can handle files containing several 100,000s of waveforms per channel with almost no noticeable loss in GUI fluidity and <1sec lags for files with >1,000,000 waveforms per channel. ... -
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VarPlan is a web application to visualize and manage variants as tree like graph view. The approach is to keep the overview on hundreds of variants with their meta informations.
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Diktyologia is software for investigating complex systems with advanced methods of network theory. The package allows for analysing statistical properties of directed intercausal networks that are represented in form of cy.prus XML files.
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This project simulates a multi-agent system (swarm) behavior both graphically and not. The purpose of this project is to research the properties suggested in "stability analysis of swarms" V.Gazi & K.M.Passino. Using the vpython library for 3D modeling
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METIL is a python-like interpreted or compiled language made for speed and generic programming, as in C++ but with static symbolic computations, type propagation, "for" surdefinition. Object orientation is centered on properties, rather than hierarchy.
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Bouquet is a graph generator written in ANSI Common Lisp. Bouquet produces Tulip graph description files; clusters and properties are supported.