Search Results for "open-shell" - Page 28
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Showing 2982 open source projects for "open-shell"
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Actors.jl
Concurrent computing in Julia based on the Actor Model
Concurrent computing in Julia based on the Actor Model. Actors make(s) concurrency easy to understand and reason about and integrate(s) well with Julia's multi-threading and distributed computing. It provides an API for writing reactive applications. -
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MSGraph is a program designed for the interactive, fast, qualitative analysis of mass spectrometric (MS) data. It is a tool to provide fast and simple access to all the information contained in an LC/MS analysis run.
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cdfread is a program for people wirking with mass spectrometry datasets. cdfread implements the routines to read mass spectra and mass chromatograms from data files in netCDF ("Andi-MS") format. Centroid and profile data are supported.
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pydatascope
Software oscilloscope using Python and tkinter
Software oscilloscope using Python and tkinter. Supports multiple sources: socket, file, audio, USB. Displays data by samples, time or frequency. Scales the input automatically or manually. -
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Open Grid Analysis and Display System
OpenGrADS provides extensions and interfaces for GrADS.
The Grid Analysis and Display System (GrADS) is an interactive desktop tool for easy access, manipulation, and visualization of earth science data. The OpenGrADS Project seeks to develop advanced interfaces and extensions based on the main GrADS engine. -
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Scabbard
A tool to visualize Dagger 2 dependency graphs
A tool to visualize and understand your Dagger 2 dependency graph. -
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DDMaker
Local Distribution Density Map Maker
DDMaker perform local density analysis and generates pseudocolor maps of the spatial distribution of imaged cellular structures in 2D images, starting from either RGB color, grey level or binary images. DDMaker local density analysis permit to selectively denoise the signal, visualize and quantify its distribution and threshold the image basing on local density. -
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coDDMaker
distributions and co-distribution 2D signal analysis
coDDMaker is a MATLAB® App Designer's software program for the guided analysis of the distributions and co-distribution of marker pairs in 2D image. -
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Temporal.jl
Time series implementation for the Julia language
This package provides a flexible & efficient time series class, TS, for the Julia programming language. While still early in development, the overarching goal is for the class to be able to slice & dice data with the rapid prototyping speed of R's xts and Python's pandas packages, while retaining the performance one expects from Julia. See the documentation for a more in-depth look at the package and some of the pain points it may solve when doing technical research with time series data. -
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TimeseriesPrediction.jl
Prediction of timeseries using methods of nonlinear dynamics
Repository for predicting time series using methods from nonlinear dynamics and time series analysis. It uses DelayEmbeddings. -
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Scanmap3D
3D Network Traffic Visualisation
A java-based 3D Visualisation tool for analysing network traffic. Written with jMonkeyEngine. -
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Zarja
Agent-based simulation toolkit
It is an open source scientific library that is focused on multi-agent simulations on graphs. It prepares basic toolkit for agents, models, timers, graphs, nodes and edges. It is also accompanied with tools for data processing. -
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Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
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stats Koa
Request statistics middleware that stores response times, status code
Request statistics middleware. Request statistics middleware that stores response times, status code counts, etc. -
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Kale
Kubeflow’s superfood for Data Scientists
KALE (Kubeflow Automated pipeLines Engine) is a project that aims at simplifying the Data Science experience of deploying Kubeflow Pipelines workflows. Kubeflow is a great platform for orchestrating complex workflows on top Kubernetes and Kubeflow Pipeline provides the mean to create reusable components that can be executed as part of workflows. The self-service nature of Kubeflow make it extremely appealing for Data Science use, at it provides an easy access to advanced distributed jobs... -
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HSGlib.orbital
A gnuplot library to plot keplerian orbits and more
It is a gnuplot library that gathers a set of functions to deal with problems of celestial mechanics. It allows one to easily accomplish tasks such as: - Converting orbital elements into Cartesian coordinates and vice-versa - Evaluate orbital position as function of the flight time and vice-versa - Plotting keplerian orbits easily -
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Queryverse.jl
A meta package for data science in Julia
Queryverse.jl is a meta package that pulls together a number of packages for handling data in Julia. -
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DynaQ
Innovative text document search. http://dynaq.opendfki.de for details.
The goal of DynaQ is to develop an inquiry system to explore the personal information space, supporting you with the searching paradigm 'orienteering'. DynaQ is a (desktop)search engine with enhanced functionality for file, email and blog search. Look at our GitLab homepage for sourcecode and documentation: http://dynaq.opendfki.de -
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RigidBodyDynamics.jl
Julia implementation of various rigid body dynamics
RigidBodyDynamics.jl is a rigid body dynamics library in pure Julia. It aims to be user friendly and performant, but also generic in the sense that the algorithms can be called with inputs of any (suitable) scalar types. This means that if fast numeric dynamics evaluations are required, a user can supply Float64 or Float32 inputs. However, if symbolic quantities are desired for analysis purposes, they can be obtained by calling the algorithms with e.g. SymPy.Sym inputs. If gradients are... -
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MLDataUtils.jl
Utility package for generating, loading, and processing ML datasets
This package is designed to be the end-user facing front-end to all the data related functionality that is spread out across the JuliaML ecosystem. Most of the following sub-categories are covered by a single back-end package that is specialized on that specific problem. Consequently, if one of the following topics is of special interest to you, make sure to check out the corresponding documentation of that package. -
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TransPose
PyTorch Implementation for "TransPose, Keypoint localization
TransPose is a human pose estimation model based on a CNN feature extractor, a Transformer Encoder, and a prediction head. Given an image, the attention layers built in Transformer can efficiently capture long-range spatial relationships between keypoints and explain what dependencies the predicted keypoints locations highly rely on. -
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Chess.jl
Julia chess programming library
A Julia chess programming library. This package contains various utilities for computer chess programming. There are functions for creating and manipulating chess games, chess positions and sets of squares on the board, for reading and writing chess games in the popular PGN format (including support for comments and variations), for creating opening trees, and for interacting with UCI chess engines. The library was designed for the purpose of doing machine learning experiments in computer... -
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StatsKit.jl
Convenience meta-package to load essential packages for statistics
This is a convenience meta-package that allows loading essential packages for statistics in one command. -
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Bridge.jl
A statistical toolbox for diffusion processes
Statistics and stochastic calculus for Markov processes in continuous time, include univariate and multivariate stochastic processes such as stochastic differential equations or diffusions (SDE's) or Levy processes. -
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textures.js
SVG patterns for data visualization
Textures.js is a JavaScript library for creating SVG patterns. Made on top of d3.js, it is designed for data visualization. Import textures.js from NPM. You can also use textures.js in your HTML page with a <script> tag by downloading textures.js to a local folder or by using the Unpkg CDN network. Textures.js can be used alongside d3.
