Search Results for "structure" - Page 3
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Showing 329 open source projects for "structure"
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$300 Free Credits for Your Google Cloud ProjectsLaunch your next project with $300 in free Google Cloud credits—no strings attached. Test, build, and deploy without risk. Use your credits across the entire Google Cloud platform to find what works best for your needs. After your credits are used, continue with always-free tier services. Only pay when you're ready to scale. Sign up in minutes and start exploring.
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Error to trace to log to deploy. One click. No SSH.AppSignal links every error to the trace, the trace to the log, the log to the deploy that shipped it.
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SimpleDCS is a Distributed Control System made easy - fully configurable both on hardware and a software level. Experimental stage (alpha)
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JSmol
JavaScript-Based Molecular Viewer From Jmol
JSmol is the extension of the Java-based molecular visualization applet Jmol (jmol.sourceforge.net) as an HTML5 JavaScript-only web app. It can be used in conjunction with the Java applet to provide an alternative to Java when the platform does not support that (iPhone/iPad) or does not support applets (Android). Used in conjunction with the Jmol JavaScript Object (http://wiki.jmol.org/index.php/Jmol_Javascript_Object), JSmol seamlessly offers alternatives to Java on these non-Applet... -
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TXM
Unicode XML TEI text analysis platform
TXM is a free and open-source cross-platform Unicode & XML based text analysis environment and graphical client, supporting Windows, Linux and Mac OS X. It can also be used online as a J2EE standard compliant web portal (GWT based) with access control built in. DOWNLOAD LATEST VERSION OF TXM : http://textometrie.ens-lyon.fr/spip.php?rubrique61&lang=en TXM offers a comprehensive range of analysis tools (concordances, collocate search, frequency lists, etc.) based on the powerfull CQP... -
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Train ML Models With SQL You Already KnowBuild and deploy ML models using familiar SQL. Automate data prep with built-in Gemini. Query 1 TB and store 10 GB free monthly.
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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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Scaffold Hunter is a JAVA-based software tool for the analysis of structure-related biochemical data. It enables generation of and navigation in a scaffold tree hierarchy annotated with various data.
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This program calculates excitation energies E0 and E2 transition strengths within the "Confined Beta Soft" nuclear structure model as described in [N. Pietralla and O. M. Gorbachenko, Phys. Rev. C 70, 011304(R) (2004)]. Parameter fits are possible.
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GridLAB-D is a new power system simulation tool that provides valuable information to users who design and operate electric power transmission and distribution systems, and to utilities that wish to take advantage of the latest smart grid technology. It incorporates advanced modeling techniques with high-performance algorithms to deliver the latest in end-use load modeling technology integrated with three-phase unbalanced power flow, and retail market systems. Historically, the inability...
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JDFTx
Joint Density Functional Theory
JDFTx is a plane-wave density functional theory code designed for electronic structure theory development. One prominent unique capability is the treatment of solvated electronic systems using joint density functional theory. Please see http://jdftx.org for download and compile instructions, tutorials, documentation and citation information. -
Host LLMs in Production With On-Demand GPUsDeploy your model, get an endpoint, pay only for compute time. No GPU provisioning or infrastructure management required.
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awVoronoi
Computes dual structure of 3D additively weighted Voronoi diagrams
A console application that reads 3D points with weights and computes the dual structure (a set of tetrahedral cells) of the additively weighted Voronoi diagram. The diagrams can be visualized in the Viewer application (Windows only), which can be downloaded separately (Files/Viewer.zip). Viewer is no longer developed. The latest release is 1.0.6. -
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sRNAWorkbench
The UEA sRNA Workbench
A suite of tools for analysing small RNA (sRNA) data from Next Generation Sequencing devices. Including expression profiling of known mirco RNA (miRNA), identification of novel miRNA in deep-sequencing data and identification of other interesting landmarks within high-throughput genetic data -
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miRPV
miRPV: An automated pipeline for miRNA Prediction and Validation in si
miRPV is an Automated tool that allows users to predict and validate microRNA from genome/gene sequence. System Requirement CPU: AMD64 (64bit) Memory: 2Gb RAM Storage: 5Gb Ubuntu 18.04 -
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TPLS
High Resolution Direct Numerical Simulation (DNS) of Two-Phase Flows
...Evaporation and condensation can now be modelled. Domains with up to 300,000,000 cells have been simulated. We also provide a simplified version of the code 'S-TPLS' to help new users understand the code structure and algorithms. The next step will be to include a model of boiling. -
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Updated 2022-06-11 added option to allow use of atoms other than C-alpha Updated 2021-11-29 to enable compilation on stricter compilers. Ab Initio protein structure prediction methods generate numerous structural candidates, which are referred to as decoys. Calibur is an efficient tool for finding the decoy with the most number of neighbors within a threshold distance. If you prefer to use GitHub, go to https://github.com/kalngyk/calibur
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NESSIE is a modern first-principle calculation software that can adequately address the need for ever-higher levels of numerical accuracy and high-performance in large-scale electronic structure simulations, as well as pioneer the fundamental study of quantum many-body effects in a large number of emerging nanomaterials. NESSIE is an electronic structure code that uses a real-space FEM discretization and domain-decomposition (DD) to perform all-electron ground-state DFT and real-time excited-state TDDFT calculations. ...
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Toxtree: Toxic Hazard Estimation
Toxicity prediction for chemical compounds
...The latest version includes the following toxicity prediction modules: -Cramer rules (oral toxicity) -Toxicity mode of action via Verhaar scheme -Skin irritation and Eye irritation prediction -Benigni / Bossa rulebase for mutagenicity and carcinogenicity prediction -START biodegradation and persistence prediction -Skin sensitisation reactivity domain -Kroes TTC Decision tree -SMARTCyp - Cytochrome P450-Mediated Drug Metabolism and metabolites prediction -Structure Alerts for the in vivo micronucleus assay in rodents (ISSMIC) -Structural Alerts for Functional Group Identification (ISSFUNC) -Structural alerts associated with covalent protein binding and DNA binding. - Ames mutagenicity Toxtree provides a plugin framework to incorporate different approaches to the estimation. Platform independent (written in Java), with the use of The Chemistry Development Kit. -
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HostDesigner
General purpose de novo molecular design software
Although many potential applications exist in chemistry and material science, software to allow the general application of de novo structure-based design methods in supramolecular chemistry was non-existent. To address this limitation we created HostDesigner, a code that builds and evaluates millions of molecules in minutes. This command line executable builds 3D molecular structures by covalently connecting user-defined input fragments with pre-computed hydrocarbon fragments from a library. ... -
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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.
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StatisticsTables
This is a Java APP for Probability and Statistics Tables
...You can use jdistabs in place of paper Probability Tables to get electronic probabilities. You can also download the Java code used to create this APP. There are 2 zips. One is for a working windows APP, and the other with complete code and file structure. I used Eclipse to develop the APP. Click the link you want to download to get the Statistics Tables Windows.exe or OS X zipped files. After saving Windows file, just click the jdistabs_win.exe file to install. If you use OS X for MAC, download to the Download directory in the Finder. Then copy to the Desktop folder. Click on the jdistabs_osx.zip to unzip. ... -
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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. -
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geostd is an open-source set of restraints for molecules involved in macromolecular structure refinement. The restraints reduce the number of variables making the solution of protein structures a more tractable process.
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Mayo 3D Cad Viewer
Free cad viewer for 3d drawings in different formats
A very nice 3d Cad viewer program. This software depends on the Opencascade library. To install opencascade V7.5.0 Beta on linux : sudo dpgk -i opencascade.deb To install mayo : sudo dpkg -i mayo-cad-viewer.deb -
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CYBR-SUITE
Remote Scrum Communication & Collaboration Suite :: Scrum Board & co
...Personality assessments, ...these mandatory ways to add more context & breaking-down complexity enable a better overview and a better understanding - for man and machine... ...based on the standardized structure of the DATA WE ARE NOW CREATING AND STORING, these values can now be used directly for the inputs and targets of our artificial neuronal networks and generate our competitive advantage based on SUPERIOR MACHINE LEARNING capabilities. The CYSU is a docker-compose solution: 1. prepare your Linux system with docker & docker-compose, modify the init-script & set YOUR SSL-values, chmod +x 2. docker-compose up --build Follow the detailed step-by-step documentation. >>> PS: YOU NEED A LINUX SERVER FOR INSTALL IT ! ... -
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3d Linear Transformation Visualization
Visualize 3d linear transformations.
A linear transformation is a function from one vector space to another that respects the linear structure of each vector space. For visualizing this we can transform a vector, but it has an obvious problem, because the linear transformation transform the whole space, not just the vector, in other words it transforms the basis vectors thus every vector in the space gets transformed too. That's why i created this app so everyone can see how a transformation matrix change the whole space. -
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fas2svg
Visualize genetic code structure from fasta file.
Generate svg file from fasta file.