Search Results for "open-shell"
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Showing 240 open source projects for "open-shell"
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MongoDB Atlas runs apps anywhereMongoDB Atlas gives you the freedom to build and run modern applications anywhere—across AWS, Azure, and Google Cloud. With global availability in over 115 regions, Atlas lets you deploy close to your users, meet compliance needs, and scale with confidence across any geography.
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Fully Managed MySQL, PostgreSQL, and SQL ServerCloud SQL handles your database ops end to end, so you can focus on your app.
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DeepChem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, etc
DeepChem aims to provide a high-quality open-source toolchain that democratizes the use of deep learning in drug discovery, materials science, quantum chemistry, and biology. DeepChem currently supports Python 3.7 through 3.9 and requires these packages on any condition. DeepChem has a number of "soft" requirements. If you face some errors like ImportError: This class requires XXXX, you may need to install some packages. -
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...Functions are organised as modules in framework independent Module Libraries and can be accessed via SAGA’s Graphical User Interface (GUI) or various scripting environments (shell scripts, Python, R, ...). Please provide the following reference in your work if you are using SAGA: Conrad, O., Bechtel, B., Bock, M., Dietrich, H., Fischer, E., Gerlitz, L., Wehberg, J., Wichmann, V., and Boehner, J. (2015): System for Automated Geoscientific Analyses (SAGA) v. 2.1.4. Geosci. Model Dev., 8, 1991-2007, https://doi.org/10.5194/gmd-8-1991-2015. ...
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MacPHREEQC
macOS version of the USGS geochemical modeling code PHREEQC
The macOS version of PHREEQC, a program developed by the U.S. Geological Survey for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations -
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NCO netCDF Operators
Command-line operators for netCDF and HDF files
The netCDF Operators, or NCO, are a suite of file operators which facilitate manipulation and analysis of self-describing data stored in the (freely available) netCDF and HDF formats. Volunteers welcome! See homepage for details and download links. -
Full-stack observability with actually useful AI | Grafana CloudBuilt on open standards like Prometheus and OpenTelemetry, Grafana Cloud includes Kubernetes Monitoring, Application Observability, Incident Response, plus the AI-powered Grafana Assistant. Get started with our generous free tier today.
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Biosphere3D
Interactive landscape rendering based on a virtual globe.
Biosphere3D targets interactive landscape rendering based on a virtual globe. It supports DEM, satellite and aerial images, 3D models (Collada), 3D plant models, and Shapefiles. Biosphere3D was initially developed by the landscape visualization group of the Zuse Institute Berlin by Malte Clasen and is now developed further by Lenné3D GmbH. For more information about the used concepts have a look at the thesis of Malte Clasen: Towards Interactive Landscape Visualization Doctoral... -
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metaf2xml
Parse and decode METAR, TAF, SYNOP, BUOY, AMDAR and write data as XML
metaf2xml can download, parse and decode aviation routine weather reports (METAR, SPECI, SAO), aerodrome forecasts (TAF), synoptic observations (SYNOP), observations from buoys (BUOY) and meteorological reports from aircrafts (AMDAR). Data can also be taken from decoded BUFR messages. The extracted data can be written as XML or passed to a user-defined function (all done in Perl). It also provides XSLT style sheets to convert the XML to plain language (text, HTML), or XML with different... -
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Euler Pole Calculator (EPC)
A Matlab software to estimate Euler pole parameters
The EPC software calculates velocities for any points located on the earth’s surface given the Euler pole parameters and estimates the Euler pole parameters given the observed velocities of a set of sites located on a tectonic plate. Since version 2, the software is able to estimate or apply the Plate Translation Rates, as well. Please cite one of the following papers when you use the software: - Goudarzi, M A, Cocard, M, and Santerre, R. 2014."EPC: Matlab Software to Estimate Euler... -
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Meteorologist Classic
your weatherman without the man
A lightweight macOS menubar app to display weather data, from multiple weather sources, for unlimited locations. Get the weather report you want, customized to how you want it, at the click of a button. The Classic version is like a classic car, restored to its former glory, now overhauled and enhanced. Visit the original project[1] for some legacy background as well as Ed's modifications over WeatherBar[2]. [1] <https://sourceforge.net/projects/heat-meteo> [2] <http://footle.org/WeatherBar> -
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SeaBreeze
Open-source cross-platform spectrometer device driver
SeaBreeze is a device driver library that provides an interface to select Ocean Optics spectrometers. It is written in C/C++ and builds and runs on Windows (XP/7/8), MacOSX, and Linux (x86/x64/ARM). -
8 Monitoring Tools in One APM. Install in 5 Minutes.AppSignal works out of the box for Ruby, Elixir, Node.js, Python, and more. 30-day free trial, no credit card required.
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A python-based system to diagnosis and make weather maps (wxmap) of numerical weather prediction models using the Grid Analysis and Display System (GrADS) from opengrads.org
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'geoconv' is a package to use with R (r-cran). This package is made of functions to convert geographic coordinates and to project geographic coordinates.
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Depth Conversion uncertainty analysis for the oil and gas industry. Incorporates cross-validation and multiple iterations.
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GrainSizeTools script
A Python script for estimating the grain size from thin sections
...For users with coding skills, the script is organized in a modular way facilitating the reuse and code extension. Lopez-Sanchez, MA (2018). GrainSizeTools: a Python script for grain size analysis and paleopiezometry based on grain size. Journal of Open Source Software, 3(30), 863, https://doi.org/10.21105/joss.00863 -
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Generic data-assimilation toolbox written in java, with native (c and fortran) libraries for high performance computing. Provides tools to couple to your own model and a wide range of algorithms, ranging from parameter calibration to Kalman filters.
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33
A project on topography and weather comparison
33 starts out to gather topographic information to compare different locations on key measures like Height Above Sea Level, Geographical Latitude, Aspect (ST_Aspect), Slope (ST_Slope), Terrain Ruggedness Index (TRI, ST_TRI/ST_Roughness), Topographic Position Index (TPI, ST_TPI), or Hill Shade (ST_HillShade). Ultimately intended to make a comparing decision on suitability for agriculture. We will see how far we get or if we surpass it even, e.g with weather data and more. Why 33 as the... -
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MOSSCO
Modular System for Shelves and Coasts
The Modular System for Shelves and Coasts (MOSSCO) is a coupling framework for Earth System Models. It helps users to integrate their own numerical models with other developments. Quick Start: git clone git://git.code.sf.net/p/mossco/setups mossco-setups git clone git://git.code.sf.net/p/mossco/code mossco-code cd mossco-code cat QuickStart.md or read online https://sf.net/p/mossco/code/ci/master/tree/QuickStart.md Beware: this is alpha software, expect... -
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Autoplot
Autoplot is an interactive browser for data on the web
Autoplot is an interactive browser for data on the web. Give Autoplot a URL or local file name and it creates a sensible plot of the data. Autoplot allows you to interactively browse data stored in ascii, .cdf, netcdf, and many other formats. Autoplot's source has been moved to GitHub. Thanks to SourceForge for many years of hosting! -
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ALAMODE
Ab initio simulator for thermal transport and lattice anharmonicity
ALAMODE is designed for analyzing lattice anharmonicity and lattice thermal conductivity of solids. By using an external DFT package such as VASP and Quantum ESPRESSO, you can extract harmonic and anharmonic force constants straightforwardly with ALAMODE. Using the anharmonic force constants, you can also calculate lattice thermal conductivity from first principles. For more information about ALAMODE, please visit the following webpages: Documentation :... -
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Watershed Districts
Creates voting districts using watershed boundaries.
Uses the USGS Watershed Boundary Dataset and the 2010 US Census data to create representational voting districts with equivalent population. -
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UIBM (= Universal Individual-Based Model) is an agent-based simulation/3d-dvisualization of the dynamics within multispecies plant communities of Northwest Europe, parameterized from databases using universal scaling laws.
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Qgama
Adjustment of local surveying networks, binary builds for Windows
The archive has been moved to https://ftp.gnu.org/gnu/gama/windows/ GNU Gama is a project dedicated to adjustment of geodetic networks. It is intended for use with traditional geodetic surveying which are still used and needed in special measurements (e.g., underground or high precision engineering measurements) . Qgama is a Qt based user interface for GNU Gama adjustment of geodetic networks in which XML input is complemented with a database. The most simple case is Sqlite3 file... -
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Display, log and upload data to the internet from your Oregon Scientific or AcuRite 02032C weather station. The Arduino WxShield also supported. See project web site for FAQs. Use Open Discussion for support requests.
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nutshell
A GUI for the freeware Geographical Information System PCRaster
A GUI for the freeware Geographical Information System PCRaster. This is an independent development. It uses the conda installation of PCRaster and can also use GDAL. Mapedit has been completely renewed. The GIT repository is available linked to PCRaster and available here: https://sourceforge.net/projects/pcraster/ Mapedit code : https://github.com/vjetten/MapEdit NutShell code: https://github.com/vjetten/NutShell The code is currently compiled for windows systems but is tested... -
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he JAVA library is designed to read JPL DE/LE ephemerides (DE200, DE405, DE406, DE421, DE422, DE430, DE431, DE440 and DE441) and to calculated the position and velocity of the Sun, Moon, eight major planets and Pluto, also the earth nutations and the lunar librations if they are part of the ephemeris.
