Search Results for "calculate"
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Showing 53 open source projects for "calculate"
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1
Vedo
A python module for scientific analysis of 3D data
...Tools to visualize and edit meshes (cutting a mesh with another mesh, slicing, normalizing, moving vertex positions, etc..). Split mesh based on surface connectivity. Extract the largest connected area. Calculate areas, volumes, center of mass, average sizes etc. Calculate vertex and face normals, curvatures, feature edges. Fill mesh holes. -
2
ERmod
Approximate solvation free energy calculator
ERmod (Energy Representation Module) is a program to calculate the solvation free energy based on the energy representation method (J. Chem. Phys. 113, 6070 (2000)). The program allows users to calculate the solvation free energy to arbitrary solvents, including inhomogeneous systems, and can run in cooperation with state-of-art molecular simulation software, such as LAMMPS, GROMACS and/or AMBER. -
3
BioXTAS RAW
Processing and analysis of Small Angle X-ray Scattering (SAXS) data.
BioXTAS RAW is a program for analysis of Small-Angle X-ray Scattering (SAXS) data. The software enables: creation of 1D scattering profiles from 2D detector images, standard data operations such as averaging and subtraction, analysis of radius of gyration (Rg) and molecular weight, and advanced analysis using GNOM and DAMMIF as well as electron density reconstructions using DENSS. It also allows easy processing of inline SEC-SAXS data and data deconvolution using the evolving factor analysis... -
4
ANYstructure
GUI based steel structure calculation and optimization tool.
GUI based steel optimization tool for naval architects and structural engineers. Calculate and optimize the following: Minimum plate thickness (DNV/DNVGL-OS-C101) Minimum section modulus of stiffener/plate (DNVGL-OS-C101) Minimum shear area (DNVGL-OS-C101) Buckling (DNVGL-RP-C201) Fatigue for plate/stiffener connection (DNVGL-RP-C203) Compartments (tank pressures) are created automatically. Pressures on external hull (or any other generic location) is defined by specifying equations. ... -
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5
OD-Lens (Lite)
Optical Mini Calculator
...It provides an intuitive graphical interface for optical engineers, photographers, and students to explore the relationships between focal length, field of view, sensor size, and aperture. The user selects which parameter they want to calculate, and the program automatically computes it using the provided values. Parameters are recalculated instantly as you type, providing immediate feedback. -
6
GNNPCSAFT
Smart Thermodynamic Modeling with Graph Neural Networks
The GNNPCSAFT app is an implementation of our project that focuses on using Graph Neural Networks (GNN) to estimate the pure-component parameters of the Equation of State PC-SAFT. We developed this app so the scientific community can access the model's results easily. In this app, the estimated pure-component parameters can be used to calculate thermodynamic properties and compare them with experimental data from the ThermoML Archive. To install the GNNPCSAFT app, download the appropriate latest release from the Files, unzip the file, and run the executable for your operating system (Linux or Windows). More info on github repository. -
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GNNPCSAFT Web App
Smart Thermodynamic Modeling with Graph Neural Networks
The GNNPCSAFT Web App is an implementation of our project that focuses on using Graph Neural Networks (GNN) to estimate the pure-component parameters of the Equation of State PC-SAFT. We developed this app so the scientific community can access the model's results easily. In this app, the estimated pure-component parameters can be used to calculate thermodynamic properties and compare them with experimental data from the ThermoML Archive. More info on github repository. -
8
Advanced Trigonometry Calculator
Precision Trigonometry: Advanced Calculator for Complex Math
Advanced Trigonometry Calculator is equipped with a user-friendly interface that allows for easy input of problems and instant computation. Professionals such as engineers who need to perform advanced trigonometric calculations in their work will find this tool extremely useful. ATC Online Alpha: https://advantrigoncalc.sourceforge.io/atc/ More info by clicking below: https://advantrigoncalc.sourceforge.io/ Advanced Trigonometry Calculator was only and always only developed by... -
9
ALAMODE
Ab initio simulator for thermal transport and lattice anharmonicity
...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 : http://alamode.readthedocs.io/en/latest/ git repository : https://github.com/ttadano/alamode -
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10
CPAT
RNA coding potential assessment tool
...However, Most previous coding potential prediction methods heavily rely on alignment, either pairwise alignment to search for protein evidence or multiple alignments to calculate phylogenetic conservation score (such as CPC , PhyloCSF and RNACode ). This is because most previously identified transcripts including protein coding RNA and short, housekeeping/regulatory RNAs such as snRNAs, snoRNA and tRNA are highly conserved. While still very useful, these approaches have several limitations: Most lncRNAs are less conserved and tend to be lineage specific which greatly limit the discrimination power of alignment-based methods. ... -
11
Celestial Precomputation
Sight Reduction for Air Navigation with Python
Warning: I found an error if the DR position is on the southern hemisphere. The PUB249 pdf files did not show this error and are correct (as far as I checked). All Revisions 8+ and the Windows release have been fixed. This Python TK application calculates a good set of stars for a 3 star fix, makes all calculations similar to the FAAs Celestial Computation Sheet (see FAA doc FAA-H-8083-18). Also, you can create a PDF file that generates Pub 249 Vol 1 for any epoch you specify. The... -
12
QuCAT
Quantum Circuit Analyzer Tool
QuCAT stands for Quantum Circuit Analyzer Tool. This open source python library provides standard analysis tools for superconducting electronic circuits, built around Josephson junctions. QuCAT features an intuitive graphical or programmatical interface to create circuits, the ability to compute their Hamiltonian, and a set of complimentary functionalities such as calculating dissipation rates or visualizing current flows in the circuit. QuCAT currently supports quantization in the basis of... -
13
GPlates
Interactive visualization of plate tectonics.
GPlates is a plate-tectonics program. Manipulate reconstructions of geological and paleo-geographic features through geological time. Interactively visualize vector, raster and volume data. PyGPlates is the GPlates Python library. Get fine-grained access to GPlates functionality in your Python scripts. -
14
calculate-curie
Calculates Curie temperature for honeycomb/hexagonal materials
Program to calculate Curie temperatures for hexagonal and honeycomb materials, as described in *2D ferromagnetism at finite temperatures under quantum scrutiny* by *Joren Vanherck, Cihan Bacaksiz, Bart Sorée, Milorad V. Milošević and Wim Magnus*. -
15
DEBay
Deconvolutes qPCR data to estimate cell-type-specific gene expression
...It will be useful in experiments where the segregation of different cell types in a sample is arduous, but the proportion of different cell types in the sample can be measured. DEBay uses the population distribution data and the qPCR data to calculate the relative expression of the target gene in different cell types in the sample. The user manual of DEBay: https://sourceforge.net/projects/debay/files/UserManual.pdf Sample data: https://sourceforge.net/projects/debay/files/Test_data/ Citation Information: Vimalathithan Devaraj, Biplab Bose. DEBay: A computational tool for deconvolution of quantitative PCR data for estimation of cell type-specific gene expression in a mixed population. ... -
16
powerfactory-fmu
The FMI++ PowerFactory FMU Export Utility
...Currently, two types of simulations are supported: In quasi-static steady-state simulations a power system’s evolution with respect to time is captured by a series of load flow snapshots. RMS simulations allow to calculate the time-dependent dynamics of electromechanical models, including control devices (new in version v0.6). -
17
Quantum Honeycomp
Interactive program to calculate electronic properties in graphene
Calculate electronic properties of graphene-like systems with a user friendly interface. The code uses the tight binding approximation and it is able to stude in a 0D, 1D and 2D geometries, orbital and magnetic fields, intrinsic and extrinsic spin-orbit coupling, sublattice imbalance, and interactions at the mean field level. The most recent version can be found in https://github.com/joselado/quantum-honeycomp Example videos https://www.youtube.com/watch? -
18
Inelastica
Transport code and tools based on SIESTA and TranSIESTA (DFT-NEGF)
NOTE: The Inelastica project moved to https://github.com/tfrederiksen/inelastica/ in February 2018. Pre- and post-processing tools for SIESTA (DFT, quantum chemistry) and TranSIESTA (quantum transport): (1) Calculate phonon frequencies, e-ph couplings, and inelastic contributions to the conductance (IETS). (2) Access Hamiltonian etc from Python. Some code documentation and installation instructions are available at this mediawiki page: http://dipc.ehu.es/frederiksen/inelastica/index.php. -
19
LER&LWR Calculator
Tool for line edge parameters calculation
Load a folder with images from raster electron microscope, choose necessary options and let the algorythm calculate the characteristics of the line. -
20
ChiantiPy is a Python package for the CHIANTI atomic database for astrophysical spectroscopy. It provides access to the database and the ability to calculate various physical quantities for the interpretation of astrophysical spectra.
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21
CorNetMap
A tool for Gene Expression Correlation Network
...Read data as tab-delimited text file. Can be used for analysis of any data set beyond gene expression. 2. Capable of both two-dimensional and multidimensional data analysis. 3. Calculate Pearson correlation and cross-correlation for analysis data with phase difference. 4. Generate correlation Heat-map and draws network map. 5. Save correlation data as text file. How to use and doccumentation: https://sourceforge.net/projects/cornetmap/files/Documentation_corNetMap.pdf Sample data for testing: https://sourceforge.net/projects/cornetmap/files/Test%20Data/ Citation: Cite CornetMap as " Khaund, A. ... -
22
tranci
Calculate electronic properties of transition metal atoms
Computational package to study transition metal atoms in surfaces, focusing on the effects of crystal field, spin orbit coupling and electronic interactions. Inputs are written in an user friendly interface, and creates a pdf and graphics with the results. -
23
ProtPOS
Prediction of PROTtein Preferred Orientation on a Surface
...Each successful run returns the lowest energy orientation of the protein on the surface in PDB format, which is readily used for MD simulations. ProtPOS is implemented in Python, making use of the PyMOL library for generating protein conformations and calling GROMACS externally to calculate protein-surface interaction energies. https://cbbio.online/software/protpos/ -
24
Python library to perform electronic structure calculations with tight binding models in different types of lattices and different dimensionalities. It allows to include different terms in the Hamiltonian as sublattice, exchange field or magnetic field. Provides functions to calculate different Green functions, band structure, density of states, transport using Landauer formula, topological invariants, etc.
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25
QCyclingPower
Obtain your cycling power
QCyclingPower is a usefull tool that allow you to calculate your cycling power using GPS Tracks (GPX/KML). You'll be able to compare different tracks. Today the tool cannot be used. Go on wiki page for more detailed state of the project. No time line defined by the way. I'm not crazy.
