Search Results for "spectra"
Sort By:
Showing 54 open source projects for "spectra"
View related business solutions-
$300 in Free Credit Towards Top Cloud ServicesStart your project in minutes. After credits run out, 20+ products include free monthly usage. Only pay when you're ready to scale.
-
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.
-
1
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. -
2
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).
-
3
SpectraViever
GUI app to view Veritas, MAX IV data
Data visualization, generate metadata log files, save spectra in .txt format for further advanced analysis. -
4
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. -
Go From AI Idea to AI App FastAccess Gemini 3 and 200+ models. Build chatbots, agents, or custom models with built-in monitoring and scaling.
-
5
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.
-
6
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... -
7
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. ... -
8
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. -
9
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. -
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.
-
10
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. -
11
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.
-
12
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. -
13
Raman Data Search and Storage
A Raman spectra library with search and storage function.
Raman Data Search and Storage (RDSS) software was developed as an analytical tool for a fast and accurate identification of unknown minerals by comparison of their spectra with the indexed library of data. A search function was implemented to enable users to find a specific peak value. Using the asterisk character (*) as a placeholder for one or more unknown peak value(s), the software will return the best match(es). Besides the search utility by the Raman band positions, which was proven to be priceless in the interpretation of Raman spectra, the RDSS software gives the user the ability to display and inspect the Raman spectra quickly and very efficiently. ... -
14
KryoMol
A molecular viewer for quantum chemistry files
-
15
-
16
AGLAEMap
Read EDF File / view mapping
...Its interface allows to easily pass from a detector to another and from an analysis to another. Elemental mapping is achieved by selecting a region of interest in the spectra and the corresponding picture can be saved. -
17
cdfread is a program for people wirking with mass spectrometry datasets. cdfread implements the routines to read mass spectra and mass chromatograms from data files in netCDF ("Andi-MS") format. Centroid and profile data are supported.
-
18
VMS Draw
user-friendly access to the latest computational spectroscopy tools
VMS Draw provides general utilities (e.g. normalization, conversion, and other manipulations of several spectra at the same time) and a flexible graphical user interface (GUI) for an easy use by non-specialists which allows a seamless flow of information between experimentally and theoretically oriented researchers. Finally, it permits effective interactions with other electronic structure codes [e.g., nuclear magnetic resonance (NMR), microwave] even if Gaussian 16 offers the widest set of methods for computational spectroscopy. -
19
Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
-
20
LymPHOS2
LymPHOS2 Web-App
LymPHOS2 is a web-based Application at www.LymPHOS.org containing peptidic and protein sequences and spectrometric information on the PhosphoProteome of human T-Lymphocytes. - Nguyen, TD., Vidal-Cortes, O., Gallardo, Ó., Abian, J., Carrascal, M., LymPHOS 2.0: an update of a phosphosite database of primary human T cells. Database 2015, 2015. DOI: 10.1093/database/bav115 - Carrascal, M., Ovelleiro, D., Casas, V., Gay, M., Abian, J., Phosphorylation analysis of primary human T lymphocytes... -
21
AnharmoniCAOS
Cagliari-Orsay model for anharmonic molecular spectra in 2nd order PT
Given dynamical coefficients and/or derivatives of the ionic potential with respect to normal (harmonic) vibrational modes, compute anharmonic energies and electric dipole-permitted transitions and intensities using nearly-degenerate perturbation theory (i.e. properly accounting for Fermi and Darling-Dennison resonances). -
22
RadiationHelper
Alpha, Beta, Gamma measurements and Nuclide exposure
RadiationHelper is a data analysis tool for : 1. gross alpha and beta radiation measurement and detector calibration using experimental data (counts acquired by alpha-beta devices). 2. gamma spectroscopy measurements and detector calibration using experimental data (spectra acquired by acquisition software such as Assayer, Gamma Vision, Maestro) 3. gross alpha,beta, gamma detector efficiencies and gamma peak efficiency can be theoretical computed using Monte-Carlo simulation technique for radiation transport (based on EGSnrc toolkit) 4.dose assessment in human body exposed to radiations from nuclides in several common scenarios such as air exposure, water submersion, ground surface, internal ingestion or inhalation. 5. quick dosimetry and shielding computations. ... -
23
MatNMR is a highly flexible toolbox for processing 1D and 2D NMR/EPR spectra in MATLAB and creating high-quality 1D, 2D or 3D plots. Fully GUI and/or script-based.
-
24
Chooch
Determine f'' and f' from X-ray fluorescence spectra
A program for deriving anomalous-scattering factors from X-ray fluorescence spectra. -
25
SimPhospho
Proteomics software for simulation of spectra of phosphopeptides
