Search Results for "open-shell"
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Showing 369 open source projects for "open-shell"
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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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Airborne Data Processing and Analysis
Software to processing and analyze of airborne measurements.
The Airborne Data Processing and Analysis (ADPAA) package is an open-source software package containing a collection of programs and scripts to process and analyze data from in-situ instruments deployed on airborne platforms. The ADPAA package was started to process data on the North Dakota Citation Research Aircraft but has been used to process data on many airborne platforms. The software methodology used in ADPAA is provided in the peer-review publication: Delene, D. -
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CPSeis is the open-source version of ConocoPhillips' former seismic processing system. Uses Fortran 90 and C/C++ layers for I/O. The new system was designed using an MPI-parallel model and works well on Linux clusters or on individual workstations.
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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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HYPE
hydrological model for simulation of water and water quality over time
Please go to project home (https://hypeweb.smhi.se/model-water/) or wiki-pages (http://hype.smhi.net/wiki/doku.php?id=start) for more information. The hydrological model HYPE is developed at the Swedish Meteorological and Hydrological Institute (SMHI). The model simulates water, nutrients and other substances in small and large river catchments. Included in the project is HYSS, which is needed to run the model. It handles input and output and the simuation over time. -
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Madagascar is a software package for geophysical data processing and reproducible numerical experiments. The package mission is to provide a convenient environment for researchers working with digital image and data processing in geophysics and related fields.
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nuSolve
Geodetic VLBI data analysis software.
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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. -
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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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jif3d
3D Joint Inversion Framework
jif3d is a framework for joint inversion of different types of geophysical data in 3D. It currently comprises forward solvers for first arrival traveltimes, scalar and tensor gravity data, magnetics, magnetotellurics, electrical resistivity tomography and surface waves.The framework is flexible in terms of the coupling approach between the different datasets. At the moment cross-gradient coupling, variation of information and deterministic parameter relationships are implemented. Other... -
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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). -
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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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The Ocean Land Atmosphere Model (OLAM) is a new global general circulation/climate prediction model that will allow to “nest down” to any desired resolution using a flexible mesh refinement technique that works on either triangular or hexagonal g
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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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Alignment Solver
Solve Alignment of Road , Rail,Tunnel
Alignment solver is a utility to solve alignment of Road, Rail or Tunnel. It can handle horizontal and vertical offset alignment , offset in transitions. cant, Import form LANDxml and other formats , exports to Landxml, GSI , Trimble ascii , Inroads ascii etc. The project is under Heavy development. Please report any issues to the ticket system. Tested Operating Systems Windows 7 / 8 / 10/ 11 64 bit Ubuntu 16.04 / 22.04 64 bit Deepin 15 64 bit Linux Mint 18.2 64 bit MXlinux 21 -
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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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BRAMS-FURNAS
Weather Forescast Model with chemistry, aerosols and transport .
BRAMS IS A NUMERICAL MODELING SYSTEM DESIGNED FOR REGIONAL SCALE ATMOSPHERIC FORECASTING AND RESEARCH, WITH FOCUS ON ATMOSPHERIC CHEMISTRY, AIR QUALITY AND BIOGEOCHEMICAL CYCLES. -
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sidmon5
VLF receiver for monitoring VLF transmitter signsls for evidence of tr
This linux package is a VLF receiver for monitoring VLF transmitter signals for evidence of transients indicating ionospheric disturbances. It takes sample pairs from dual-channel sound cards and spectrally processes them to Stokes parameters. -
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topographie cadastrale
utilities for cadastre system
set of scripts for making a cadastre system and maintenance -
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Graphical Forecast Editor
View and edit grids of meteorological values
Allows viewing and editing of weather data from weather models as two dimensional grids. Python scripting support hooks in the ingest, editing and product creation subsystems allow for customization. All network communication made through HTTP services. Enhanced version of the system used by national weather services. -
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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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sidmon5.net
Sudden ionospheric disturbance monitor with Stokes data product
This package is a VLF receiver for monitoring VLF transmitter signals for evidence of transients indicating ionospheric disturbances, usually caused by x-ray bursts from the sun. It takes sample pairs from dual-channel sound cards and spectrally processes them to Stokes parameters. Data are plotted as time series and in scatter plots.
