Search Results for "open-shell"
Sort By:
Showing 372 open source projects for "open-shell"
View related business solutions-
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.
-
Earn up to 16% annual interest with Nexo.Generate interest, access liquidity without selling, and execute trades seamlessly. All in one platform. Geographic restrictions, eligibility, and terms apply.
-
1
Astropy
Repository for the Astropy core package
The Astropy Project is a community effort to develop a common core package for Astronomy in Python and foster an ecosystem of interoperable astronomy packages. Astropy is a Python library for use in astronomy. Learn Astropy provides a portal to all of the Astropy educational material through a single dynamically searchable web page. It allows you to filter tutorials by keywords, search for filters, and make search queries in tutorials and documentation simultaneously. The Anaconda Python... -
2
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. -
3
...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. ...
-
4
CAIRO for AERMOD
AERMOD, visualisation, input, modelling and compiling tool
...CAIRO for AERMOD (Compile AERMAP, AERMOD and AERPLOT Input and Run Output) aimed at streamlining the process of making complex input file, with unique syntax and running them. While obviating the need to manually write inputs and running the program through Shell -
Gemini 3 and 200+ AI Models on One PlatformBuild generative AI apps with Vertex AI. Switch between models without switching platforms.
-
5
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. -
6
Lithology Docker for CorelDraw
For the design of geological sections, illustrations
...Installation You can use the installer, which is located in the setup folder Or install it manually from the archive in the zip folder There are two folders in the archive Lithology and LithologyResources Copy the Lithology folder to c:\Program Files\Corel\CorelDRAW Graphics Suite XXXX\Programs64\Addons\ Copy the LithologyResources folder to c:\Users \{Your user}\AppData\Roaming\Corel\CorelDRAW Graphics Suite XXXX\Custom Data\ Launch CorelDRAW, open docker from the menu Window-> Windows settings-> Lithology -
7
caesar-lisflood
CAESAR-Lisflood landscape evolution model
Caesar Lisflood is a geomorphological / Landscape evolution model that combines the Lisflood-FP 2d hydrodynamic flow model (Bates et al, 2010) with the CAESAR geomorphic model to simulate erosion and deposition in river catchments and reaches over time scales from hours to 1000's of years. These sourceforge pages provide downloads of the .exe and the source code for CAESAR-lisflood and instructions and additional documentation can be found in the Wiki tab. These include a full description... -
8
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. -
9
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... -
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.
-
10
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... -
11
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... -
12
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). -
13
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
-
14
'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.
-
15
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 -
16
Depth Conversion uncertainty analysis for the oil and gas industry. Incorporates cross-validation and multiple iterations.
-
17
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 -
18
topographie cadastrale
utilities for cadastre system
set of scripts for making a cadastre system and maintenance -
19
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.
-
20
TopoCad France
French Geographic Information System
topography oriented GIS for cadastre maintenance fully configurable and totally autonomous (can be transfered to USB key) . -
21
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... -
22
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... -
23
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! -
24
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 :... -
25
gputils is a collection of tools for Microchip PIC microcontrollers. Its goal is to be fully compatible with Microchip's tools, MPASM, MPLINK, and MPLIB.
