Search Results for "spectra"
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Showing 171 open source projects for "spectra"
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Surya
Implementation of the Surya Foundation Model for Heliophysics
...It is designed to forecast solar phenomena—such as flares, solar wind, irradiance, and active region behavior—by predicting future solar images with a sophisticated long–short vision transformer architecture, thereby enabling improved space weather forecasting. Foresees solar flares, wind, EUV spectra, and active region formation in advance. Achieves approximately 16% improvement in forecasting accuracy over traditional methods. 366-million‑parameter foundation model capturing general-purpose solar representations. -
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nmrshiftdb2 is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. The nmrshiftdb2 software is open source, the data is published under an open content license. The core of nmrshitdb2 are fully assigned spectra with raw data and peak lists (we have pure peak lists as well).
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SpectraViever
GUI app to view Veritas, MAX IV data
Data visualization, generate metadata log files, save spectra in .txt format for further advanced analysis. -
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MultiSpecEPR
MultiSpec EPR handles and present several spectra 1D and 2D
MultiSpec EPR is a program made to handle and to present several spectra (up to 4000) simultaneously or one by one as well as EPR spectra with two dimensions. It loads spectra from Bruker EPR instruments. It has a new algorithm for automatic peak picking which is very efficient and a very fast and accurate line fitting. It makes colorful figures that can be transferred directly to the scientific articles of one or multiple spectra. -
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PlotAndRoi
Plot PIXE;RBS, PIGE; IBIL spectra. Gaussian fit one peak
PlotAndRoi allows to plot and compare all types of files acquire at AGLAE (PIXE, RBS, PIGE, IBIL, ...) . It can also fit one peak on all spectra quickly to do PIGE processing by doing simple rules of three method. -
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Hyperspectral data analysis in R
Handling and basic analysis of hyperspectral data in R
The hsdar package contains classes and functions to manage, analyse and simulate hyperspectral data. These might be either spectrometer measurements or hyperspectral images through the interface of rgdal. -
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tenon
Analysis of gamma ray spectra from HPGe detector.
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The attached files contain software developed for the simulation of pulsed EPR and ENDOR spectra of Gd(III) spin labels, including ENDOR spectra. The results obtained using this software are published at https://doi.org/10.26434/chemrxiv-2023-hg5zc The folder "Simulations.zip" contains all final simulation files used in this work
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...SGMNS used a global connectivity molecular network (GCMN), which was constructed by the structural similarity of metabolites. When the annotation was performed, experimental MS/MS spectra of known metabolites as seeds were assigned to corresponding neighbor metabolites in GCMN as their “pseudo” spectra, and the propagation was performed by searching predicted retention times, MS1 and “pseudo” spectra against metabolite features. Then, the annotated metabolite features were used as new seeds for annotation propagation again. ...
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Eleana
Program for the analysis of spectroscopic data, in particular EPR(ESR)
Eleana is a program for manipulating, modifying and analyzing various spectroscopic data, in particular electron paramagnetic resonance spectra. It allows you to import data from Bruker spectrometers such as Elexsys or EMX and data from any ASCII file or imported from the clipboard. The program is under constant development, but already has many functions implemented for spectral analysis. Some of the basic functions include: baseline corrections, filtering, spectral clipping, integration / differentiation, pseudomodulation, filtering, etc. ... -
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Stand-alone application and Python tools for interactive and/or batch processing analysis of X-Ray Fluorescence Spectra. Graphical user interface (GUI) and batch processing capabilities provided.
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LogD_Predictor
Models to LogD Predictor Software
The repository contains a packaged set of machine-learning models and neural networks for predicting logD from NMR spectra and molecular fingerprints. For more details, check the Github repository: https://github.com/Prospero1988/logD_predictor -
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Jmol
An interactive viewer for three-dimensional chemical structures.
Over 1,000,000 page views per month. Jmol/JSmol is a molecular viewer for 3D chemical structures that runs in four independent modes: an HTML5-only web application utilizing jQuery, a Java applet, a stand-alone Java program (Jmol.jar), and a "headless" server-side component (JmolData.jar). Jmol can read many file types, including PDB, CIF, SDF, MOL, PyMOL PSE files, and Spartan files, as well as output from Gaussian, GAMESS, MOPAC, VASP, CRYSTAL, CASTEP, QuantumEspresso, VMD, and many other... -
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AtomProbeLab
Matlab-based analysis of Atom Probe Data
A collection of scripts and functions for the analysis of atom probe tomography data. Currently, this includes: standard file operations, plotting mass spectra, mass spectra analysis and mass peak overlap solving. For more information see the Wiki: https://sourceforge.net/p/atomprobelab/wiki/Home/ Quick overview video: https://youtu.be/8rJHce7M5UU More in-depth video using the APT school demos live script: https://www.youtube.com/watch?v=cyrLHCzZwuw For details of the maximum likelihood method used to solve peak overlaps see the following papers: https://doi.org/10.1017/S1431927616012782 and https://doi.org/10.1017/S1431927618016276 for the quantification of the uncertainty. ... -
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hackee
Full control & readout of CAEN DT5780 Digital Multichannel Analyzer.
...It provides flexible control over DT5780 module, including High Voltage supplies, trigger, coincidences, digital processor & readout configuration. GUI allows to preview the signals, run data acquisition, observe amplitude spectra and counting rates, etc. -
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Gwyddion
Scanning probe microscopy data visualisation and analysis
A data visualization and processing tool for scanning probe microscopy (SPM, i.e. AFM, STM, MFM, SNOM/NSOM, ...) and profilometry data, useful also for general image and 2D data analysis. -
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echoes
Echoes is a radio spectral analysis software for SDR devices
...Since there is no demodulation, there is no provision for audio listening, except for a notify sound when an event has been recorded. Finally, Echoes can also operate getting an audio input, thus producing audio spectra. This way, Echoes can also be used with traditional receivers. -
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GeigerLog
Python program for Geiger counters and Environmental Sensors
...GeigerLog reads data from devices, saves them to databases, prints to screen and plots as auto-updated, customizable graphs. Quality control using Statistics, Scatter, Poisson, FFT & Autocorrelation, and more. Gamma Spectra - can be displayed, calibrated, and evaluated in GeigerLog! The Raspberry Pi 4, 5 qualify as GeigerLog hosts. -
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The proper way to cite TRAUPIXE are: 1- L. Pichon, Q. Lemasson, D. Bachiller-Perea, C. Pacheco, Advances in dynamic and batch processing of PIXE spectra, Nucl. Instrum. Methods Phys. Res. Sect. B Beam Interact. Mater. At. 565 (2025) 165734. https://doi.org/10.1016/j.nimb.2025.165734. 2-L. Pichon, T. Calligaro, Q. Lemasson, B. Moignard, C. Pacheco, Programs for visualization, handling and quantification of PIXE maps at the AGLAE facility, Nucl. Instrum. Methods Phys. Res. Sect. ...
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Web-based Electronic Laboratory Notebook (ELN) with integrated Chemical Inventory by the group of Prof. Goossen (TU Kaiserslautern, Germany), based on PHP/MySQL. Allows (sub-)structure search, reaction planning, management of spectra and literature.
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STRIKER-GUI
Refine the spectral library to enhance its completeness and coverage.
STRIKER is a tool for correcting spectra with missing or incorrect adduct annotations. It also enables efficient construction of an HMDB-based spectral library and extraction of sublibraries from large spectral libraries. -
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PANDA
A comprehensive and flexible quantification tool for proteomics data
...First, we implement the advantage algorithms of LFQuant (Proteomics 2012, 12, (23-24), 3475-84) and SILVER (Bioinformatics 2014, 30, (4), 586-7) into PANDA. Second, we consider the state-of-art concept of quantification reliability in this quantitative workflow. On the levels of spectra, peptides and proteins, PANDA works out a few quantitative filters and new scores for quantification confidence. Third, PANDA is designed for processing proteomics big data in parallel. -
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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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lms2fits
Dual-channel spectroscopic receiver using LimeSDR-USB
`lms2fits` is a dual-channel spectroscopic receiver for radio astronomy that employs theLimeSDR's LimeSDR-USB dual-channel transceiver, which in turn employs Lime Microsystems' LMS7002M transceiver chip. These systems allow a frequency-agile (<30 MHz to 3.8 GHz) receiver providing Stokes parameters in dynamic spectra of up to 60 MHz analog bandwidth streamed to a FITS file with three-axis primary table. It runs on linux under .Net. -
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Optimizer_sovkov
Constructing and optimizing general mathematical and physical models
...Many of these programs are already available along with the main package. Currently, the main focus of these is computational quantum mechanics, analysis and simulation of molecular spectra, and general-purpose approximants. The package provides the most reliable modern strategies for linear and non-linear model optimization, regularization, and hypothesis tests. Parallel computing is supported.
