Search Results for "surface"
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Showing 37 open source projects for "surface"
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FairChem
FAIR Chemistry's library of machine learning methods for chemistry
FAIRChem is a unified library for machine learning in chemistry and materials, consolidating data, pretrained models, demos, and application code into a single, versioned toolkit. Version 2 modernizes the stack with a cleaner core package and breaking changes relative to V1, focusing on simpler installs and a stable API surface for production and research. The centerpiece models (e.g., UMA variants) plug directly into the ASE ecosystem via a FAIRChem calculator, so users can run relaxations, molecular dynamics, spin-state energetics, and surface catalysis workflows with the same pretrained network by switching a task flag. Tasks span heterogeneous domains—catalysis (OC20-style), inorganic materials (OMat), molecules (OMol), MOFs (ODAC), and molecular crystals (OMC)—allowing one model family to serve many simulations. ... -
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Vedo
A python module for scientific analysis of 3D data
...Analysis tools like Moving Least Squares, mesh morphing and more. 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. -
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dockserver-talk
Python module to interface with a Slocum glider dockserver
...The package comes with two applications built on top of dockserverTalk: BUGS: a program to monitor and display the position of gliders (as well as buoys and ships) with respect to a given GPS location (from an external source). Surfalarm: a program that can send text messages or make direct phone calls, acting upon a glider to surface and connect to a dockserver, being in a mission, or aborted. Serial2rudics: a helper program that lets a glider simulator connected to a serial port appear as a glider connecting and disconnection via rudics/iridium when at ther surface or underwater, respectively. -
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GenX
X-Ray and Neutron Reflectivity Modeling
GenX is a scientific program to refine x-ray refelcetivity, neutron reflectivity and surface x-ray diffraction data using the differential evolution algorithm. GenX is very modular and highly extensible and can be used as a general fitting program. -
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SMILI
Scientific Visualisation Made Easy
The Simple Medical Imaging Library Interface (SMILI), pronounced 'smilie', is an open-source, light-weight and easy-to-use medical imaging viewer and library for all major operating systems. The main sMILX application features for viewing n-D images, vector images, DICOMs, anonymizing, shape analysis and models/surfaces with easy drag and drop functions. It also features a number of standard processing algorithms for smoothing, thresholding, masking etc. images and models, both with... -
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GNNPCSAFT Chat
Chatbot with GNNPCSAFT
The GNNPCSAFT Chat 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, you can chat with LLM models (Gemini or Ollama) with GNNPCSAFT tools, allowing you to ask questions about the PC-SAFT parameters of various compounds, predict thermodynamic properties, and get insights into the... -
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jif3d
3D Joint Inversion Framework
...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 coupling approaches can be added relatively easily. -
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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. -
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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... -
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LabRPS
Random phenomena generator
...Code and release files are primarily hosted on https://github.com/LabRPS/LabRPS and mirrored here LabRPS aims to be a tool for the numerical simulation of random phenomena such as stochastic wind velocity, seismic ground motion, sea surface ... etc. It can be in a wide range of uses around engineering, such as random vibration or vibration fatigue in mechanical engineering, buffeting analysis in bridge engineering.... LabRPS is mainly to assist reseachers in related fields to quickly implement new simulation methods programmatically in their new research work based on the existing works, help engineers to numerically generate random phenomena in a more realistic way, helps students and new comers to this field to learn quickly. ... -
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Computational electromagnetics software. Uses surface Method of Moments, enhanced by using the Multilevel Fast Multipole Method. Code is parallelized and runs on laptops, desktops and clusters. The code precision is adjustable, it is fast and uses little memory. CFIE is used for closed surfaces, and EFIE for open PEC surfaces. Can function on GMSH, GiD and ANSYS meshes.
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Argo
ARGO is a program for analysis of electronic structure calculations
The `Argo' program draws its name from ancient Greek, referencing the vessel of the same name commissioned for Jason's renowned Argonauts expedition. This choice symbolizes the pursuit of making the best use of quantum chemical calculation results. ARGO facilitates the analysis of results obtained from quantum chemistry codes, specifically Gaussian. This task is achieved through a set of Python scripts. Our code is freely available throughout the academic community with the ambition to... -
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DBRplot
Plots reflectivity response of Distributed Braggs Reflector mirrors
...Clever insertion of the input parameters in the GUI will let you simulate the reflectivity response of many physical systems on a substrate such as various DBR mirror cavities and DBR mirrors. The future release includes: 1. Complete flexibility on the cavity thickness 2. Surface plots of reflectance against angle and wavelength 3. Reflectance response in the presence of light-matter coupling by introducing multiple QWs inside the cavity. 4. The reflectance response under TM and TE incidence. If you want to have future versions, please like, comment and share -
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Objectron
A dataset of short, object-centric video clips
The Objectron dataset is a collection of short, object-centric video clips, which are accompanied by AR session metadata that includes camera poses, sparse point-clouds and characterization of the planar surfaces in the surrounding environment. In each video, the camera moves around the object, capturing it from different angles. The data also contain manually annotated 3D bounding boxes for each object, which describe the object’s position, orientation, and dimensions. The dataset consists... -
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CS-NPSA
Nonpolar Surface Area from Continuum Solvation
The Continuum Solvation Nonpolar Surface Area (CS-NPSA) package is a general purpose program suite for defining and computing nonpolar surface areas based on continuum solvation models. It is based on the classification of individual surface elements representing the solvent accessible surface used for the description of the polarized charge density elements in the CS models. -
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Peptide Vaccine Analysis Tool (PVAT) is an optimization software that predicts the best possible peptide stretches in a given protein sequence based on two factors: 1. the surface exposure of the peptide stretches, and 2. their susceptibility to mutation.
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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. -
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AICtools
Workflow and set of tools for Automated Imagery Classification
AICtools is a GIS workflow and set of tools to facilitate Automated Imagery Classification (AIC) and analysis of surface features over time. Allows bulk processing of large data sets, including automated metadata processing/filtering, compressed archive extraction and file manipulation, raster band compositing, pre-processing, mosaicking, clipping. Automates a subset of operations involved in classification of satellite imagery and the associated raster calculations used for time trend analysis. -
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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 Engineering): https://sourceforge.net/projects/geoms2/files/Geostatistics_Petroleum.zip/download Download datasets for students of Geostatistics 2017 (Geology and Mining Engineering): https://sourceforge.net/projects/geoms2/files/Geostatistics_Mining.zip/download Old: http://sourceforge.net/projects/geoms2/files/SETS_geoestatistica2_2015.7z/download https://sites.google.com/site/cmrpsoftware/downloads/Quarry_sets.7z?... -
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Construct2D
COmputational fluid dyNamics STRUctured grid CreaTor for 2D airfoils
...Now available in version 2.0: hyperbolic grid generation to create higher quality grids in a fraction of the time compared to elliptic grid generation. Elliptic grid generation is still available also. Smooth airfoil surface spacing is handled automatically with user-controlled clustering parameters. Also included is a visualizer written in Python with matplotlib. -
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Regina
Software for 3-manifold topology and normal surface theory
A suite of mathematical software for 3-manifold topologists, focusing on the study of 3-manifold triangulations, normal surfaces and angle structures. -
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WavePacket
Dynamics of quantum systems, controlled by external fields
WavePacket is a toolkit for numerical simulation of distinguishable particles. It can solve single or coupled time-independent or time-dependent (linear) Schrödinger and Liouville-von Neumann-equations, as well as classical or quantum-classical Liouville equations. External electric fields can be added within the semiclassical dipole approximation, thus WavePacket can be used to simulate modern experiments involving ultrashort light pulses in photo-induced physics or chemistry, including... -
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ProtPOS
Prediction of PROTtein Preferred Orientation on a Surface
ProtPOS is a self-contained, lightweight, and easy-to-use software package for predicting the preferred orientation of protein on a given surface upon initial adsorption. It searches quickly for the low energy protein poses in all translational and rotational degrees of freedom of the protein with respect to the surface using particle swarm optimization. Each successful run returns the lowest energy orientation of the protein on the surface in PDB format, which is readily used for MD simulations. ... -
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SciEnPlot
Data Plotting and Analysis for Science and Engineering
- Save and open a Work/Project (spf) file - Single fitting/ Batch fitting (user defined custom func) - Matrix to XYZ in Tool menu - Symbol plot: makers, curve, landscape, bar, etc. - Implemented a 3d surface plot (GLSurface) based on OpenGL (ScienPlot v1.3.2 and above) - ColorMap surface, trisurface, Pie, Polar plots, and 3D height field, 3dBar, scatter plots (under developing), and more - Column by column plotting/calculation - LaTex commands enclosed by $ symbols can be used for the labels in Graph - Accept txt(Text) and csv(Comma separated values) formatted data - Save, copy, print Graph - Use spread sheets to display data - Textboard to organize the results - Graphs in a publishable quality - Source codes based on: Python Numpy Scipy Matplotlib WxPython Visvis etc... -
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STARucn
Monte-Carlo simulation for ultra-cold neutrons
STARucn (Simulation of Transmission, Absorption and Reflection of ultracold neutrons) is a Monte-Carlo software designed to simulate experimental setups and guides for ultra cold neutrons. It relies heavily on CERN's ROOT packages. Developing team : Benoit Clément, LPSC/UJF Damien Roulier, ILL/UJF
