Search Results for "j-trace"
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Showing 30 open source projects for "j-trace"
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DeepXDE
A library for scientific machine learning & physics-informed learning
...Solving forward/inverse ordinary/partial differential equations (ODEs/PDEs) [SIAM Rev.] Solving forward/inverse integro-differential equations (IDEs) [SIAM Rev.] fPINN: solving forward/inverse fractional PDEs (fPDEs) [SIAM J. Sci. Comput.] NN-arbitrary polynomial chaos (NN-aPC): solving forward/inverse stochastic PDEs (sPDEs) [J. Comput. Phys.] PINN with hard constraints (hPINN): solving inverse design/topology optimization [SIAM J. Sci. Comput.] Residual-based adaptive sampling [SIAM Rev., arXiv] Gradient-enhanced PINN (gPINN) [Comput. Methods Appl. Mech. ... -
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Chemical Trajectory Analyzer
A software package for processing and analyzing chemical trajectories
...-D.Przybylski-Freund, L.C.Kröger, W.A.Kopp, A.E.Ismail, K.Leonhard, "Automated Discovery of Reaction Pathways, Rate Constants, and Transition States Using Reactive Molecular Dynamics Simulations", J. Chem. Theory Comput. 11 (2015), 2517-2524 L.C.Kröger, W.A.Kopp, M.Döntgen, K.Leonhard, "Assessing Statistical Uncertainties of Rare Events in Reactive Molecular Dynamics Simulations", J. Chem. Theory Comput. 13 (2017), 3955-3960 M.Döntgen, F.Schmalz, W.A.Kopp, L.C.Kröger, K.Leonhard, "Automated Chemical Kinetic Modeling via Hybrid Reactive Molecular Dynamics and Quantum Chemistry Simulations", J. ... -
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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. -
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Airborne Data Processing and Analysis
Software to processing and analyze of airborne measurements.
...The ADPAA package was started to process data on the North Dakota Citation Research Aircraft but has been used to process data on many airborne platforms. The software methodology used in ADPAA is provided in the peer-review publication: Delene, D. J., Airborne Data Processing and Analysis Software Package, Earth Science Informatics, 4(1), 29-44, 2011, URL: http://dx.doi.org/10.1007/s12145-010-0061-4, DOI: 10.1007/s12145-010-0061-4. -
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HistogramsApp
Application that generates KDE-PDP plots from geochronological data
...To cite the application please refer to: 1) https://www.tandfonline.com/doi/abs/10.1080/00206814.2021.1954556?journalCode=tigr20 Rodriguez-Corcho, A. F., Rojas-Agramonte, Y., Barrera-Gonzalez, J. A., Marroquin-Gomez, M. P., Bonilla-Correa, S., Izquierdo-Camacho, D., ... & Montes, C. (2021). The Colombian geochronological database (CGD). International Geology Review, 1-35. And the Zenodo repository where the source code is available: 2) Rodriguez Corcho (2021). andresrcorcho/CGD_HistogramsApp: HistogramsApp_1.5 (1.5). ... -
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JSONVisor
Visor for mass spectrometry JSON files generated by Integrator
...For more information, you can have a look at the README.md file in the source code tree: https://sourceforge.net/p/lp-csic-uab/jsonvisor3/code/ci/default/tree/README.md - Gallardo, Ó., Ovelleiro, D., Gay, M., Carrascal, M., & Abian, J. (2014). A collection of open source applications for mass spectrometry data mining. PROTEOMICS, 14(20), 2275–2279. https://doi.org/10.1002/pmic.201400124 -
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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 using sequential IMAC and titanium oxide enrichment. J. Proteome Res. 2008, 7, 5167-5176. ... -
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EasierMGF
Converts RAW Thermo Files into MGF files
...For more information, you can have a look at the README.md file in the source code tree: https://sourceforge.net/p/lp-csic-uab/easiermgf3/code/ci/default/tree/README.md - Gallardo, Ó., Ovelleiro, D., Gay, M., Carrascal, M., & Abian, J. (2014). A collection of open source applications for mass spectrometry data mining. PROTEOMICS, 14(20), 2275–2279. https://doi.org/10.1002/pmic.201400124 -
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TCellXTalk
TCellXTalk Web-App from LP CSIC/UAB
...More detailed information on TCellXTalk and the people at the CSIC/UAB Proteomics Laboratory behind it can be obtained at https://www.tcellxtalk.org/about/ - Casanovas, A., Gallardo, Ó., Carrascal, M., Abian, J., TCellXTalk facilitates the detection of co-modified peptides for the study of protein post-translational modification cross-talk in T cells. Bioinformatics 2019, 35-8, 1404–1413, DOI 10.1093/bioinformatics/bty805 ( https://doi.org/10.1093/bioinformatics/bty805 ) -
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...With the basic library one can solve heat flow equations, Maxwell equations, and solid mechanical problems. Several add-ons are available for particular application classes. New paper: J. Schöberl: "C++11 Implementation of Finite Elements in NGSolve", ASC Report 30/2014, Institute for Analysis and Scientific Computing, Vienna University of Technology, 2014 http://www.asc.tuwien.ac.at/~schoeberl/wiki/publications/ngs-cpp11.pdf
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Leave A Trace Tools
Tools for reading the track data of the project "Leave a Trace"
The art project "Leave a Trace" (LAT) records an displays people movement in real time. It is installed as a permanent exhibition within the Charité in Berlin, Germany. Please find more Details about LAT here: https://leave-a-trace.charite.de/action This sourceforge project provides python tools to read the raw XML data produced by LAT. The data reading module works with python2 and python3. -
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This project houses software to analyze data acquired from electrophysiology experiments. Currently, we have an Octave/MATLAB program to analyze electroneurogram traces of coupled oscillators, and a Perl library for the analysis of voltage trace data
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BayesRate
Bayesian estimation of diversification rates
BayesRate is a program to estimate speciation and extinction rates from dated phylogenies in a Bayesian framework. The methods are described in: Silvestro, D., Schnitzler, J. and Zizka, G. (2011) A Bayesian framework to estimate diversification rates and their variation through time and space. BMC Evolutionary Biology, 11, 311 Silvestro D., Zizka G. & Schulte K. (2014) Disentangling the effects of key innovations on the diversification of Bromelioideae (Bromeliaceae). Evolution, 68, 163-175. -
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orbkit (Moved to Github)
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
...If you use orbkit in your work, please cite it as follows: Gunter Hermann, Vincent Pohl, Jean Christophe Tremblay, Beate Paulus, Hans-Christian Hege, and Axel Schild, "ORBKIT: A Modular Python Toolbox for Cross-Platform Postprocessing of Quantum Chemical Wavefunction Data", J. Comput. Chem. 2016, DOI: 10.1002/jcc.24358. orbkit's documentation can be found at http://orbkit.github.io/ -
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ChIP-RNA-seqPRO
ChIP-RNA-sequencing-processing (ChIP-RNA-seqPRO)
ChIP-RNA-seqPRO: A strategy for identifying regions of epigenetic deregulation associated with aberrant transcript splicing and RNA-editing sites. Runnable python scripts packaged together with customized annotation libraries, demo data input and README guide. 9/26 : v1.1 Updated MAIN_IV to debug error thrown by python pandas no longer supporting 'subset'. This code will no longer be actively maintained/updated here. A cloud-based resource for comparative analysis of epigenetic,... -
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gtkhst is a collection of GLib2 objects to compute statistics (mean, variance, correlations) in 1 and 2 dimensions and a set of Gtk2 widgets to display 1D and 2D histograms as well as trace plots showing the evolution with time of the monitored quantity
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PyRate
Bayesian Estimation of Speciation and Extinction from Fossil Data
PyRate is a Python program to estimate speciation, extinction, and preservation rates from fossil occurrence data using a Bayesian framework. The method was described by D Silvestro, J Schnitzler, LH Liow, A Antonelli, and N Salamin in Systematic Biology (http://sysbio.oxfordjournals.org/content/early/2014/02/08/sysbio.syu006.abstract). *Please download the most up-to-date code from the "PyRate code" tab on this page or from: https://github.com/dsilvestro/PyRate * *An updated manual can be found here: https://github.com/dsilvestro/PyRate/tree/master/tutorials * -
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LightProfiler
Profiler for Oracle extended SQL trace files
LightProfiler – application for performance analysis of the Oracle databases. It generates detailed resource profile for extended SQL trace files (10046 event), containing information about consuming of response time (by events, by cursors, etc.), data files usage, error analysis (SQL, PL/SQL) and much more. Also it contain tools for additional processing of trace files (extract session data, splitting files) and for management of database's sessions (disconnecting, tracing, monitor parameters, blocking locks, events and etc.) -
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irit_diff_sequences
Python tool to create lifespan sequences from Wikipedia edits history
...The tool is first developed for the Wikipedia edits history but can easily be adapted for others applications. From a database containing for each article its list of revisions, produce one csv file per article containing authored sequences and lifespans. Output format: i,j,lifespan,author with - i : begining of the chars sequence - j : end of the chars sequence - lifespan : number of edits the sequence has survives until the lattest revision - author : author id of the sequence. -
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DiagSim
Diagnostics simulation for particle accelerators
DiagSim is a collection of Python modules for simulating beam diagnostics in particle accelerators, at the moment only cavity BPMs, with other types of BPMs and other diagnostics to follow. Or so we think. Anyway, we use beam data exported from beam trackers, trace the signals through the diagnostics and processing, so that they can be processed as real data, and the input and measured beam parameters can be compared. -
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Chi Square Calculator
An unlimited calculator for Chi Squared
...## Sorry for the lack of floating point (Decimal) numbers support; attempting to input decimals will crash the program. Will fix soon! If you need any help, information, my email is: max-j-anderson@hotmail.co.uk -
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RASPnmr
Protein NMR backbone resonance assignment
...Uniquely, RASP is capable of extensive assignments even in the abscence of Cbeta chemical shift information: over a test set of 154 proteins RASP assigns 88 % of residues with an accuracy of 99.7 %, using only information available from HNCO and HNCA spectra. RASP is described here: MacRaild and Norton (2014) RASP: Rapid and robust backbone chemical shift assignments from protein structure. J Biomol NMR doi:10.1007/s10858-014-9813-7 -
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ReferenceFree
Scripts for reference free genomic analysis
These are Python scripts plus C/C++ programs for automating the reference free genomic analysis described in: Kua C-S, Ruan J, Harting J, Ye C-X, Helmus MR, et al. (2012) Reference-Free Comparative Genomics of 174 Chloroplasts. PLoS One 7(11). http://www.plosone.org/article/info%3Adoi%2F10.1371%2Fjournal.pone.0048995 Analytical concept conceived by CHCannon and CSKua. Original script written in Mathematica by CHCannon. -
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--UPDATE-- New Version is now integrated in the official PyMOL plugin repository! --UPDATE-- The BNI (Beyond Normal Interaction)- Tools is a plug in for the PyMOL molecular visualization system which adds additional functionalities and presets to the PyMOL GUI and also adds useful extended commands.
