Search Results for "open-shell" - Page 11
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Showing 2179 open source projects for "open-shell"
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Paddle Quantum
Paddle Quantum
Paddle Quantum (量桨) is the world's first cloud-integrated quantum machine learning platform based on Baidu PaddlePaddle. It supports the building and training of quantum neural networks, making PaddlePaddle the first deep-learning framework in China. Paddle Quantum is feature-rich and easy to use. It provides comprehensive API documentation and tutorials help users get started right away. Paddle Quantum aims at establishing a bridge between artificial intelligence (AI) and quantum computing... -
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tools4vasp
Management and Analyzis of VASP calculations
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qaqarot
Quantum Computer Library for Everyone
The Blueqat project has been renamed the Qaqarot Project because of the branding strategy of blueqat inc. -
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whiteboxgui
An interactive GUI for WhiteboxTools in a Jupyter-based environment
The whiteboxgui Python package is a Jupyter frontend for WhiteboxTools, an advanced geospatial data analysis platform developed by Prof. John Lindsay (webpage; jblindsay) at the University of Guelph's Geomorphometry and Hydrogeomatics Research Group. WhiteboxTools can be used to perform common geographical information systems (GIS) analysis operations, such as cost-distance analysis, distance buffering, and raster reclassification. Remote sensing and image processing tasks include image... -
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Feuille de calcul Excel dédiée à la modélisation 1D du charriage et de l'évolution altitudinale du lit lors de crues torrentielles. (ONF-RTM)
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GXSM
Scanning Probe Microscopy Controller and Data Visualization Software
...High-Speed external PAC-PLL hardware option with digital DSP link. Based on several hardware options it supports a commercially available DSP hardware and provided also Open Source Code for all the low level signal processing tasks and instrument controls in a most flexible and adaptable manner. All latest software is available via SVN only or Live Demo/Install CD: http://www.ventiotec.de/linux/GXSM-Linux.iso -
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CodonU
A python project for analysis of codon usage for gene or genome analys
With CodonU, you can now easily read, manipulate, and analyze various file formats used in this kind of analysis, and generate high-quality graphics suitable for publishing. This open-source project incorporates various statistical measures necessary for codon usage analysis, including codon adaptation index, codon bias index, Gravy score, and correspondence analysis for both nucleotide and protein sequences. Start using CodonU today and see how it can revolutionize your genomics research! Find more at: https://github.com/SouradiptoC/CodonU Documentation link: https://souradiptoc.github.io/CodonU Example Link: https://github.com/SouradiptoC/CodonU/tree/master/Examples -
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PLC Technology!
PLC Technology!
PLC Technology! is about Automotion, Programmable Logic Controller, IIoT... -
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TANGO is a device oriented control system for Linux and Windows. It provides a framework in C++, Java and Python for implementing distributed control objects. TANGO has a full set of tools and hundreds of device servers.
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SBEVSL is a collaborative project between Dowling and RIT on the development of a Structural Biology Extensible Visualization Scripting Language, so that users can move freely among various molecular graphics tools, such as rasmol, pymol, raster3d, etc.
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capd
Computer Assisted Proofs in Dynamics
Dynamical Systems and Homology Software. The CAPD library is a collection of flexible C++ modules which are mainly designed to computation of homology of sets and maps and nonrigorous and validated numerics for dynamical systems. -
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Open source steam property routines in C. Implements the IAPWS-IF97 steam tables from the International Association for the Properties of Water and Steam. Includes two-way property solvers and test suite. Can be used from C/C++, Fortran, Python, LabVIEW, Octave and ASCEND.
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Python Power Electronics
Circuit simulator for power electronics
An open source circuit simulator for power electronics applications. The objective is to provide a platform that will enable an advanced user to simulate large systems with several converters without being an excessive burden on the CPU. -
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VAERity
Uncovering truth in data
VAERity is a free, open source tool to graphically explore the VAERS data set. It aims to eventually expand in scope to allow fast querying of arbitrary large datasets. It utilizes vaex and pandas as required to provide a balance of speed and query flexibility. -
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pjscicalc
A scientific calculator written in Python
A scientific calculator written in Python, this project uses the wxPython and mpmath modules to create a scientific calculator suitable for use on a computer desktop. It is largely a rewrite and update of jscicalc. It has much higher precision. -
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Dummy-Robot
My super mini robotic arm robot project
Dummy-Robot is an open source robotics project by Peng Zhihui that showcases the design and implementation of a compact robotic arm . The repository contains full hardware design files, firmware, control software, and 3D models. It includes components such as a gripper, LED light ring PCB, wireless spatial positioning controller, and a portable case. The project demonstrates advanced engineering with stepper motor drivers, custom controllers, and debugging tools. -
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ProjectQ
An open source software framework for quantum computing
ProjectQ is an open-source effort for quantum computing. It features a compilation framework capable of targeting various types of hardware, a high-performance quantum computer simulator with emulation capabilities, and various compiler plug-ins. -
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fpyprog
Program for statistic and visual analysis
Example of program for statistic and visual analysis on Python -
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OmicSelector
Feature selection and deep learning modeling for omic biomarker study
OmicSelector is an environment, Docker-based web application, and R package for biomarker signature selection (feature selection) from high-throughput experiments and others. It was initially developed for miRNA-seq (small RNA, smRNA-seq; hence the name was miRNAselector), RNA-seq and qPCR, but can be applied for every problem where numeric features should be selected to counteract overfitting of the models. Using our tool, you can choose features, like miRNAs, with the most significant... -
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BEVFormer
Implementation of BEVFormer, a camera-only framework
3D visual perception tasks, including 3D detection and map segmentation based on multi-camera images, are essential for autonomous driving systems. In this work, we present a new framework termed BEVFormer, which learns unified BEV representations with spatiotemporal transformers to support multiple autonomous driving perception tasks. In a nutshell, BEVFormer exploits both spatial and temporal information by interacting with spatial and temporal space through predefined grid-shaped BEV... -
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Discursive Dilemma
Optimal Decision Rules for the Discursive Dilemma
Accompanying software for the paper "Optimal Decision Rules for the Discursive Dilemma", by A. Alabert, M. Farré and R. Montes (https://arxiv.org/abs/2210.13100). Computes a ranking of the best decision rules according to a quantitative criterion based on the minimisation of the combined probabilities of false positives and false negatives -
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pyntcloud
pyntcloud is a Python library for working with 3D point clouds
This page will introduce the general concept of point clouds and illustrate the capabilities of pyntcloud as a point cloud processing tool. Point clouds are one of the most relevant entities for representing three dimensional data these days, along with polygonal meshes (which are just a special case of point clouds with connectivity graph attached). In its simplest form, a point cloud is a set of points in a cartesian coordinate system. Accurate 3D point clouds can nowadays be (easily and... -
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osm4scala
Reading OpenStreetMap Pbf files.
Scala and polyglot Spark library (Scala, PySpark, SparkSQL, ... ) focused on reading OpenStreetMap Pbf files. -
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TheoDORE
Theoretical Density, Orbital Relaxation and Exciton analysis
The TheoDORE (Theoretical Density, Orbital Relaxation and Exciton analysis) package is a general purpose program suite for the analysis of excited states obtained from quantum chemical excited state calculations. Wavefunction analysis is based on state and transition density matrices, which provides a unified formalism applicable independent of the wavefunction model. TheoDORE is interfaced to a number of quantum chemical programs (Q-Chem, Columbus, Turbomole, ...) and can be used for... -
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miRPV
miRPV: An automated pipeline for miRNA Prediction and Validation in si
miRPV is an Automated tool that allows users to predict and validate microRNA from genome/gene sequence. System Requirement CPU: AMD64 (64bit) Memory: 2Gb RAM Storage: 5Gb Ubuntu 18.04
