Search Results for "j-interop"
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Showing 93 open source projects for "j-interop"
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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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...Functions are organised as modules in framework independent Module Libraries and can be accessed via SAGA’s Graphical User Interface (GUI) or various scripting environments (shell scripts, Python, R, ...). Please provide the following reference in your work if you are using SAGA: Conrad, O., Bechtel, B., Bock, M., Dietrich, H., Fischer, E., Gerlitz, L., Wehberg, J., Wichmann, V., and Boehner, J. (2015): System for Automated Geoscientific Analyses (SAGA) v. 2.1.4. Geosci. Model Dev., 8, 1991-2007, https://doi.org/10.5194/gmd-8-1991-2015. For more information visit the project homepage and the wiki.
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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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ShelXle
ShelXle is a Qt GUI for SHELXL
ShelXle combines an editor with syntax highlighting for the SHELXL-associated .ins (input) and .res (output) files with an interactive graphical display for visualization of a three-dimensional structure including the electron density (Fo) and difference density (Fo-Fc) maps. See J. Appl. Cryst. (2011). 44, 1281–1284. for details. -
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luscus
molecular editor and viewer
...The program is developed as a graphical interface for MOLCAS program package, however it's adaptive nature makes possible using luscus with other computational program packages and chemical formats. If you use this program, please cite: G. Kovačević, V. Veryazov, J. Cheminformatics, 7 (2015) 1-10; DOI: 10.1186/s13321-015-0060-z -
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computem
Transmission Electron Microscope Image Simulation
These programs calculate high resolution conventional and scanning transmission electron microscope (CTEM, STEM) images of thin specimens from first principles using the multislice method for electrons in the energy range of approximately 60 keV to 1000 keV. The fundamental theory and usage are described in "Advanced Computing in Electron Microscopy" (Springer 2020) and Acta Cryst. A72 (2016) p. 1 by Earl J. Kirkland. Please refer to these for the theory of calculation and how to use these programs. computem uses a GUI and the temsim group uses a command line interface. The user is assumed to have some understanding of optics, Fourier transforms, electron microscopy and computer skills at the graduate or advanced undergraduate level. ... -
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miRDeep*
MiRDeep*
Please cite: An, J., Lai, J., Lehman, M.L. and Nelson, C.C. (2013) miRDeep*: an integrated application tool for miRNA identification from RNA sequencing data. Nucleic Acids Res, 41, 727-737. We will create index for you if you tell us your interested species (j.an@qut.edu.au). download command line version "MDS_command_line_Vxx.zip" clicking "Browse All Files" please find miRPlant in sourceforge for plant miRNA prediction. -
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JMEScriptGUI
Pequeño IDE para el lenguaje JMEScript.
Con este IDE podrá probar cualquier script escrito en JMEScript con toda la funcionalidad del lenguaje, incluidos gráficos 2D y conexión MySQL. La versión para Android, en este momento, tiene menos funcionalidad y ejecuta la versión 0.1 de JMEScript. Parser JME y lenguaje JMEScript en https://sourceforge.net/projects/jme/ Documentación en https://morenobarrientos-jme.site44.com/ Código fuente y UDL para Notepad++ en pestaña 'FILES' -
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JME (Java Math Expression)
Evaluador de expresiones matemáticas para Java en español
...Puede consultarse la documentación de usuario y de desarrollador en la página https://miguelalejandromorenobarrientos.github.io/JmeDoc/ IDE JMEScriptGUI https://sourceforge.net/projects/j -
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DeepSee
Visualize deep ocean biogeochemical sediment samples in 2D and 3D!
...🦑🦀🐚 🚀 For a live demo, visit: https://www.its.caltech.edu/~datavis/deepsee/ 🌱 To get started, visit our Wiki: https://sourceforge.net/p/deepsee/wiki/Home/ 🧑💻 To modify DeepSee for your own project, visit our GitHub repository: https://github.com/orphanlab/DeepSee/ --- Created by Adam Coscia, Haley M. Sapers, Noah Deutsch, Malika Khurana, John S. Magyar, Sergio A. Parra, Daniel R. Utter, Rebecca L. Wipfler, David W. Caress, Eric J. Martin, Jennifer B. Paduan, Maggie Hendrie, Santiago Lombeyda, Hillary Mushkin, Alex Endert, Scott Davidoff, and Victoria J. Orphan. Copyright (c) 2022-23 California Institute of Technology ("Caltech"). U.S. Government sponsorship acknowledged. All rights reserved. Open Source License Approved by Caltech/JPL APACHE LICENSE, VERSION 2.0 --- -
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Aestel
Applications for data management
"Information is data in action", and, consequently, having good quality data is essential. The AESTEL package contains two highly configurable applications for data management: A data loader and a reporting application, i.e. DataLoader and AEREA, respectively. The data loader application applies user-defined instructions to validate, process and load data. The reporting application provides a query builder and spreadsheet template designer. Both applications work with any relational data... -
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Matrix Product State (MPS) Simulations
Numerical routines for variational matrix product state simulations.
...We offer various time evolution methods with an emphasis on the support of long-range interactions through the matrix product state formalism. For more algorithms, see the list of features below. Please cite "M. L. Wall and L. D. Carr, New J. Phys. 14, 125015 (2012)" and "D. Jaschke, M. L. Wall, and L. D. Carr, Computer Physics Communications 225, 59–91 (2018)" if your publication involves OSMPS. -
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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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This is a java based software that solves the following MCDA (Multicriteria Decision Aid) problems: Electre I, Electre I_s, Electre I_v, Electre II, Electre III, Electre IV, Electre TRI and Electre TRI ME.
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GelJ
GelJ is a Java program for the analysis of DNA gel fingerprints images
...Some of the outstanding features of GelJ are functionality for accurate lane- and band-detection, several methods for computing migration models and generating dendrograms, comparison of banding patterns from different experiments, and database support. Citing GelJ: J. Heras, C. Domínguez, E. Mata, and V. Pascual. GelJ – a tool for analyzing DNA fingerprint gel images. BMC Bioinformatics 2015, 16:270 http://doi.org/10.1186/s12859-015-0703-0. You can see more information about GelJ in https://sourceforge.net/p/gelj/wiki/Home/ Several videos explaining the use of GelJ are available in https://sourceforge.net/p/gelj/wiki/Videos/ Please address any question or comment to joheras at gmail.com -
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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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FastaTools
Performs several operations to Fasta protein databases
...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/fastatools/code/ci/default/tree/README.md Or you can download the Documentation an Tutorial PDF file in the Files section: https://sourceforge.net/projects/fastatools.lp-csic-uab.p/files/FastaTools%20Documentation%20and%20Tutorials.pdf - 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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DESMO-J is a framework for rapidly building discrete event driven simulation models in Java, which is not restrained to any particular domain of application. It supports both event-oriented and process-oriented modelling views. See http://desmoj.de.
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dupost
Dual Porosity Stokes model implemented with FEniCS
...In: Rodrigues J. et al. (eds) Computational Science – ICCS 2019. ICCS 2019. Lecture Notes in Computer Science, vol 11539. Springer, Cham -
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AntibiogramJ
AntibiogramJ is a Java program for the reading of antibiogram-images
AntibiogramJ is a Java program for the identification, measurement and categorisation of inhibition zones in antibiogram images captured with any device that incorporates a camera (including digital cameras and mobile phones). Citing AntibiogramJ: A. Alonso, C. Domínguez, J. Heras, E. Mata, V. Pascual, C. Torres, and M. Zarazaga. AntibiogramJ: a Tool for Analysing Images from Disk Diffusion Tests. Computer Methods and Programs in Biomedicine 143:159-169. 2017. DOI: http://dx.doi.org/10.1016/j.cmpb.2017.03.010 You can see more information about AntibiogramJ in https://sourceforge.net/p/antibiogramj/wiki/Home/ Several videos explaining the use of AntibiogramJ are available in https://sourceforge.net/p/antibiogramj/wiki/Videos/ AntibiogramJ includes now the EUCAST v.9.0. ... -
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mirplant
miRPlant: An Integrated Tool for Identification of Plant miRNA
please cite: An J, Lai J, Sajjanhar A, Lehman ML, Nelson CC: miRPlant: an integrated tool for identification of plant miRNA from RNA sequencing data. BMC bioinformatics 2014, 15(1):275. We will create index for you if you tell us your interested plants (j.an@qut.edu.au). -
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A Suite of Programs implementing a fast approach to the Debye Function Analysis (DFA) of powder diffraction data from nanocrystalline and/or non-ordered materials. See J. Appl. Cryst. 2015, 48, 2026-2032
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OpenGrowth
OpenGrowth is a program which constructs de novo ligands for proteins.
...To prepare new fragments you need BuildingFragments_1.0.1.zip and the scripts for MD simulations are in MD-Scripts_1.0.1.zip. SMoG2016.tar.gz allows to compute a score with the newly developed function (J. Chem. Inf. Mod., http://pubs.acs.org/doi/abs/10.1021/acs.jcim.6b00610). For any questions, please send emails exclusively at opengrowth-discuss@lists.sourceforge.net. -
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LTL3DRA
LTL to deterministic Rabin automata translator based on LTL3BA
...It is based on the popular tool named LTL3BA written by Tomas Babiak (available at https://sourceforge.net/projects/ltl3ba/). The translation used in LTL3DRA is described in T. Babiak, F. Blahoudek, M. Křetínský, and J. Strejček: Effective Translation of LTL to Deterministic Rabin Automata: Beyond the (F,G)-Fragment (2013) In 11th International Symposium on Automated Technology for Verification and Analysis (ATVA 2013) In order to compile LTL3DRA, the BuDDy library (http://sourceforge.net/projects/buddy/) is needed. Tested with buddy 2.4. ... -
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BEMoDA
Dissolution profile comparison Model Dependent-Independent Approach
...Pharm Res. 1996 Dec;13(12):1799-803) and Tsong et al. in 1996 (Tsong Y, Hammerstrom T, Sathe P, Shah VP. (1996) Statistical Assessment of Mean Differences between Two Dissolution Data Sets, Drug Info. J. 30:1105-1112).