Search Results for "open-shell" - Page 8
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Showing 501 open source projects for "open-shell"
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Crystalsim - XRD hkl simulation
X-ray diffraction (XRD) analysis for hkl simulation of any crystal.
Crystalsim is a simple freeware program with a neat graphical user interface for X-ray diffraction (XRD) data analysis . It can simulates all possible {hkl} planes data for the selected crystal. Crystallographic Information File (.cif) can also be used. Analyze both powder diffraction and single crystal data . Indexed at International Union of Crystallography (IUCR). Crystalline lattice parameters such as ‘a’, ‘b’, ‘c’ as well as interfacial angles such as alpha, beta,... -
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An Open Source IEC 61131-3 Integrated Development Environment, providing PLCOpen SoftPLC programming, CanOpen IO's, and SVG based HMI.
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TensorWatch
Debugging, monitoring and visualization for Python Machine Learning
TensorWatch is an open source debugging and visualization platform created by Microsoft Research to support machine learning, deep learning, and reinforcement learning workflows. It enables developers to observe training behavior in real time through interactive visualizations, primarily within Jupyter Notebook environments. The tool treats most data interactions as streams, allowing flexible routing, storage, and visualization of metrics generated during model training. -
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istSOS
Free and Open Source Sensor Observation Service Data Management System
istSOS is an OGC SOS server implementation written in Python. istSOS allows for managing and dispatch observations from monitoring sensors according to the Sensor Observation Service standard. The project provides also a Graphical user Interface that allows for easing the daily operations and a RESTful Web api for automatizing administration procedures. istSOS is released under the GPL License, and runs on all major platforms (Windows, Linux, Mac OS X), even though tests were conducted... -
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The TRANSIMS Studio application is an integrated development environment for the TRansportation ANalysis and SIMulation System (TRANSIMS). Components include a run time environment to execute TRANSIMS in parallel, as well as a full featured GUI.
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NYCOpenData-Profiling-Analysis
Open Data Profiling, Quality and Analysis on NYC OpenData dataset
Open data often comes with little or no metadata. You will profile a large collection of open data sets and derive metadata that can be used for data discovery, querying, and identification of data quality problems. For each column, identify and summarize the semantic types present in the column. These can be generic types (e.g., city, state) or collection-specific types (NYU school names, NYC agency). -
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abu
Abu quantitative trading system (stocks, options, futures, bitcoin)
Abu Quantitative Integrated AI Big Data System, K-Line Pattern System, Classic Indicator System, Trend Analysis System, Time Series Dimension System, Statistical Probability System, and Traditional Moving Average System conduct in-depth quantitative analysis of investment varieties, completely crossing the user's complex code quantification stage, more suitable for ordinary people to use, towards the era of vectorization 2.0. The above system combines hundreds of seed quantitative models,... -
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nonechucks
Deal with bad samples in your dataset dynamically
nonechucks is a library that provides wrappers for PyTorch's datasets, samplers and transforms to allow for dropping unwanted or invalid samples dynamically. What if you have a dataset of 1000s of images, out of which a few dozen images are unreadable because the image files are corrupted? Or what if your dataset is a folder full of scanned PDFs that you have to OCRize, and then run a language detector on the resulting text, because you want only the ones that are in English? Or maybe you... -
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Olex2 is visualisation software for small-molecule crystallography developed at Durham University/EPSRC. It provides comprehensive tools for crystallographic model manipulation for the end user and an extensible development framework for programmers. The project has been supported by Olexsys Ltd since 2010.
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Application Monitoring That Won't Slow Your App DownFull APM with errors, performance, logs, and uptime monitoring. 99.999% uptime SLA on the platform itself.
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GEOMS2
Geostatistics and geosciences modeling software
GEOMS2 is a geostatistics and geosciences modeling software. Provides interface for grid (mesh), point, surface and data (non-spatial) objects. It has a 3D viewer and 2D plots using the well known Python engines Mayavi and Matplotlib. It has several functions to manipulate your data as well as provide univariate and multivariate analysis. NOTE: The software is still an early beta. Please tell us if you found a bug. Download datasets for students of Geostatistics 2017 (Petroleum... -
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LaueTools
open source python packages for X-ray MicroLaue Diffraction analysis
LaueTools is an open-source project for white beam Laue x-ray microdiffraction data analysis including tools in image processing, peaks searching & indexing, crystal structure solving (orientation & strain) and data & grain mapping visualisation. Python 3 Code and new features are now at: https://gitlab.esrf.fr/micha/lauetools -
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PyMOL Molecular Graphics System
PyMOL is an OpenGL based molecular visualization system
The Open-Source PyMOL repository has been moved to github: https://github.com/schrodinger/pymol-open-source We still use the pymol-users mailing list here on sourceforge. Please subscribe for community support: https://pymol.org/maillist (Note: SourceForge email newsletter and special offers are optional and can be unchecked) The PyMOL community wiki has its own home: https://pymolwiki.org/ -
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GeoNotebook
A Jupyter notebook extension for geospatial visualization and analysis
GeoNotebook is an open-source extension to the Jupyter Notebook ecosystem that equips users with powerful geospatial visualization and analysis capabilities directly within the notebook interface. It integrates with GeoJS and other geospatial services to enable rich, interactive map rendering, layer control, and GIS data manipulation alongside traditional code and markdown cells in a Jupyter environment. -
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Wally
Distributed Stream Processing
Wally is a fast-stream-processing framework. Wally makes it easy to react to data in real-time. By eliminating infrastructure complexity, going from prototype to production has never been simpler. When we set out to build Wally, we had several high-level goals in mind. Create a dependable and resilient distributed computing framework. Take care of the complexities of distributed computing "plumbing," allowing developers to focus on their business logic. Provide high-performance & low-latency... -
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VividSTORM
Correlated confocal and SMLM data visualization and analysis
VividSTORM is a free and open-source standalone software with graphical user interface, for the correlated visualization and analysis of superresolution single molecule localization microscopy (SMLM) molecule lists and conventional pixel intensity-based images. The localization points (LPs) within this ROI can be analyzed using the selected built-in functions. -
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pyspread
Python spreadsheet application
Pyspread is a non-traditional spreadsheet application that is based on and written in the programming language Python. The goal of pyspread is to be the most pythonic spreadsheet. Pyspread expects Python expressions in its grid cells, which makes a spreadsheet specific language obsolete. Each cell returns a Python object that can be accessed from other cells. These objects can represent anything including lists or matrices. Dependencies + Python (>=2.7, <3.0) + numpy... -
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TimingDrawer
Text based timing diagram generator
This tool generates timing diagrams for documenting hardware design. It reads the description from a text file with a simple syntax. It generates vector graphic (EPS, SVG or EMF format). It can be used in command line mode or with a GUI. It is written in Python and works on any platform. -
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PyTom
http://www.sciencedirect.com/science/article/pii/S1047847711003492
PyTom is a toolbox developed for interpreting cryo electron tomography data. All steps from reconstruction, localization, alignment and classification are covered with standard and improved methods. Please sign up to our mailing list to keep up with the most recent updates and versions. -
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fooltrader
Quant framework for stock
Build a standard data schema, and then implement various connectors to import systems you are familiar with for analysis. fooltrader is a quantitative analysis trading system designed using big data technology, including data capture, cleaning, structuring, calculation, display, backtesting and trading. Its goal is to provide a unified framework for the whole market (stock, futures, bonds, foreign exchange, digital currency, macroeconomics, etc.) for research, backtesting, forecasting, and... -
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Now maintained at github.com/spacepy/spacepy Space Science library for Python - contains superposed epoch classes, drift shell tracing, access to magnetic field models, streamline tracing, bootstrap confidence limits, time and coordinate conversions, etc.
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PyX is a Python package for the creation of EPS, PS, PDF and SVG files. It combines an abstraction of the PostScript drawing model with a TeX/LaTeX interface. Complex tasks like 2d and 3d plots in publication-ready quality are built out of these primitives.
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Vaex
Out-of-Core hybrid Apache Arrow/NumPy DataFrame for Python
Data science solutions, insights, dashboards, machine learning, deployment. We start at 100GB. Vaex is a high-performance Python library for lazy Out-of-Core data frames (similar to Pandas), to visualize and explore big tabular datasets. It calculates statistics such as mean, sum, count, standard deviation etc, on an N-dimensional grid for more than a billion (10^9) samples/rows per second. Visualization is done using histograms, density plots and 3d volume rendering, allowing interactive... -
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GDL - GNU Data Language, a free IDL (Interactive Data Language, see http://ittvis.com/idl/) compatible incremental compiler.
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xmgrace python interface
xmgrace and qtgrace plotting interface in python
This is a python module providing a nearly complete interface to the graphing program xmgrace and the new qtgrace (great project... grace works under windows, too, now!). It allows creation of grace plots from within python, which can be customized using python, or through grace after creation.
