Search Results for "open-shell" - Page 3
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Showing 1136 open source projects for "open-shell"
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CrystalCMP
Easy-to-use tool for fast comparison of molecular packing
CrystalCMP is a code for comparing crystal structures. It is using two basic approaches for this purpose - the fingerprint and the RMSD approach. Result of the comparison is a similarity matrix and dendrogram. Read more here: J. Appl. Cryst. (2016). 49, 2172-2183 (https://doi.org/10.1107/S1600576716016058) and also here: J. Appl. Cryst. (2020). 53, 841-847 https://doi.org/10.1107/S1600576720003787 -
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Bandicoot
fast C++ library for GPU linear algebra & scientific computing
* Fast GPU linear algebra library (matrix maths) for the C++ language, aiming towards a good balance between speed and ease of use * Provides high-level syntax and functionality deliberately similar to Matlab * Provides an API that is aiming to be compatible with Armadillo for easy transition between CPU and GPU linear algebra code * Useful for algorithm development directly in C++, or quick conversion of research code into production environments * Distributed under the permissive Apache 2.0 license, useful for both open-source and proprietary (closed-source) software * Can be used for machine learning, pattern recognition, computer vision, signal processing, bioinformatics, statistics, finance, etc * Downloads: http://coot.sourceforge.io/download.html * Documentation: http://coot.sourceforge.io/docs.html * Bug reports: http://coot.sourceforge.io/faq.html * Git repo: https://gitlab.com/conradsnicta/bandicoot-code -
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NOTE: The GROOVE codebase has moved to https://github.com/nl-utwente-groove
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VRMosaic for Lazarus
VRMosaic for Lazarus
VRMosaic for Lazarus a sliding cells puzzle game written using Free Pascal for Lazarus [*] now include auto mosaic resolver (Aug 2023) !! includes Lazarus sources & build project another fine SunStorm release Vincent Radio {Adrix.NT} adrixnt@hotmail.it -
Train ML Models With SQL You Already KnowBuild and deploy ML models using familiar SQL. Automate data prep with built-in Gemini. Query 1 TB and store 10 GB free monthly.
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To give users the full control over the running application. This means that an application is working according to its purpose but the control over the whole interface is taken from developer and given to users. While an application is running, users can move, resize, and tune all the screen objects through which the communication with an application is going. Set of files includes the book (both in DOC and PDF formats), a big demonstration project with all its files available (all the...
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VR Paged List for C# and more
VR Paged List for C# and more
a collection of Vincent Radio {Adrix.NT} C# sources & build projects includes - Paged Lists & Iterators Library for C# - Multi Dimensional Array Library for C# - MDArray List Manager Library for C# - Adjacency (List | Matrix) Direct Graph Libs for C# - Range Check functions - VRMosaic (WinForms) - with Auto Resolver also includes - Source Files - Visual Studio Build Projects - Test Applics have fun adrixnt@hotmail.it -
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Sorting-Visualizer
A GUI sorting visualizer desktop application
A GUI sorting visualizer desktop application that helps to visualize various sorting algorithms interactively. Visualizer the sorting algorithms like Bubble sort, Insertion sort, Selection sort, Gnome sort, Shaker sort and Odd even sort. Change the bar color and background by customizing. Increase or decrease speed of animation to visualize the sorting process. Download now! -
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3D Box rotation
Simple example of draw and rotate 3D box
Simple source .java file; .bat for fast re-compile and run; and pre-compiled .jar Java program with example from scratch writed in Notepad++ without Eclipse, etc., How to draw and rotate 3D box most simple way. Rotation speed regulated in simple Loop with 10 ms sleep. Use Java version 8 (OpenJDK 8, OracleJDK 8, OracleJRE 8, ..). Higher versions have an anti-aliasing error in the BufferedImage ( Windows 10 ). Python version with tkinter and math imports. Including calculated faces,... -
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PI-Based Image Encoder / Converter
Python code able to convert / compress image to PI (3.14, π) Indexes
Image processing tool that encodes pixel data as indices within the first 16.7 million digits of PI (π). Features high-performance Numba-accelerated search and a signature 'film-grain' aesthetic upon reconstruction. ZIP also include 16 MB file with 16,7 mil numbers of PI Benchmark(Single-Thread): Hardware & Environment Apple Silicon: Apple M2 (Mac mini/MacBook) x86_64 Platform: Intel Core Ultra 5 225F (Arrow Lake, 10 Cores) OS 1: Fedora 43 (GNOME) OS 2: Windows 11 Pro... -
Go From AI Idea to AI App FastAccess Gemini 3 and 200+ models. Build chatbots, agents, or custom models with built-in monitoring and scaling.
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Dynamic Arrays and Hashes (Delphi, C++)
Very fast classes for working with Dynamic Arrays in Delphi and C++
(New version 1.04 is released) Dynamic Arrays is a set of useful very fast classes for data manipulating in memory. Flexible memory control, functionality that standard containers do not have, fast operations (assembler implementation for x86 and x64 platforms). Available for Delphi all latest versions and for C++. Powerful Hash and Double Hash classes to work with pairs of values (key and value) and with values that have two keys (key1, key2, value). Give it a try and let me know how... -
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EasyCSP
Constraint Satisfaction Problem solving library for Java
EasyCSP is an open-source Java library for Constraint Satisfaction Programming. EasyCSP offers search algorithms for both CSPs and CSOPs. EasyCSP supports CSPs to be formalized using objects or int expressions. EasyCSP on GitHub: http://github.com/cordisvictor/easycsp-lib -
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[ARCHIVAL] The central forum for the MWE community. Share your open-source data sets and MWE extraction tools, exchange ideas on evaluation strategies and further development of the tools, and discuss theoretical definitions and linguistic properties of MWEs.
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ScrollingArray
A Java Utility Class To Create Combinations of Existing Arrays.
Use this class to create combinations of sub-arrays of arrays and ArrayLists. A handy utility for creating and testing purposes.. -
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hbox
Sokoban solver written in Ada
This is a commandline-terminal sokoban solver written in Ada. It is "generic" in the sense that it contains no domain specific strategies. It also provides a demonstration of the incredible power of the Hungarian Algorithm. The proper command to extract the archive and maintain the directory structure is "7z x filename". -
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PWSLIB3
Password Safe encrypted databases, Java library
Java module to create, read and write Password Safe V3 encrypted databases. The package is a mature offspring from project JPasswords and can be used with Java 1.8. There is an API document available. -
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FRODO 2
Open-Source Framework for Distributed Constraint Optimization (DCOP)
FRODO is a Java platform to solve Distributed Constraint Satisfaction Problems (DisCSPs) and Optimization Problems (DCOPs). It provides implementations for a variety of algorithms, including DPOP (and its variants), ADOPT, SynchBB, DSA... -
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JUtilClasses
Java programmer's aid in useful methods and classes
Util-Classes is a collection of Java classes for programming support in service for building applications. It covers a wide range of topics from simple small routines over Collection classes to larger utilities addressing IO-management, GUI topics and data safety. -
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YACS (Yet Another Constraint Solver) is a Java library and an object-oriented framework for constraint solvers. It supports propagating and solving of constraint satisfaction problems with finite and infinite domains (discrete values and real intervals).
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pgapack, the parallel genetic algorithm library is a powerfull genetic algorithm library by D. Levine, Mathematics and Computer Science Division Argonne National Laboratory. The library is written in C. PGAPy wraps this library for use with Python.
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UoMASM
A C++ Active Shape Model Library from the University of Manchester
A library and associated tools for building and searching with Active Shape Models (ASM). It builds on the VXL computer vision libraries. Includes a GUI tool to search new images with the ASM. Depends on: VXL, Qt (Version 4), UoMqVXL -
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A rudimentary 3D computer game that utilises artificial neural networks to enable computer agents to anticipate a target's location and shoot (bullets) in the corresponding direction.
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Control logic
Realtime PC-based control and simulator of control systems
Control logic Java package is a set of Java classes aimed at: - Implementation of a real-time PC-based control - Simulation of control systems Setting up a control system involves working with so-called triggers. See project Wiki for detailed information and examples. -
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HungarianAlgorithm
An Ada implementation of the Hungarian Algorithm to minimize cost
The Hungarian algorithm can be described as optimally solving a workers versus jobs assignment problem that minimizes total cost. This implementation assumes a square cost matrix, i.e. the number of jobs equals the number of workers to do them. -
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pwwMap
map and nosql database
Using Chinese description. You need the Google translation. My address is as follows: No.17-18 of XiangGang batang Community, Xiangtan City of Hunan Province, China.
