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Showing 12 open source projects for "drop"
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Lipid Reporter
Modifies csv files with a range of user defined filters.
** Updated for Windows 10** Lipid Reporter takes your plain old Progenesis QI search exports and allows you to manipulate them in a quick, safe, predictable way. Now with better support for Progenesis QI grouped output! Why muddle things up with Excel? Use Lipid Reporter instead. The supplied filters are all about Lipids. Add the category names, reject Ids that our outside of your favourite retention time range and lots more! This program is not produced by Nonlinear Dynamics... -
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MSP2MGF
Convert MSP files to MGF files - Only you know why
MSP2MGF processes MSP data files (NIST standard text files for searching) It: converts MSP data files into MGF files (mascot generic format)., produces a new file with the same name as your input file's, allows you to change the mapping of MGF fields into MGF fields, has a command line interface so you can pass files in programatically. You: either drag and drop MSP files onto the window, or pass filenames though a command line argument. Command line arguments: /? displays help information /f anything following is a file you want to process. Things you should know: Change what things in the MSP get mapped into a new name in the MGF in Settings. Anything not on the mapping list is mapped through unaltered. ... -
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Open Drug Discovery Toolkit (ODDT)
Modular and comprehensive toolkit for use in cheminformatics
...ODDT is written in Python, and makes extensive use of Numpy/Scipy. You can use any supported toolkit united under common API (for reference see Pybel or Cinfony). All methods and software based on Pybel/Cinfony should be drop-in compatible with ODDT toolkits. In contrast to its predecessors, which were aimed to have minimalistic API, ODDT introduces extended methods and additional handles. These extensions allow to use of toolkits at all its grace and some features may be backported from others to introduce missing functionalities. Most important and handy property of Molecule in ODDT are Numpy dictionaries containing most properties of supplied molecule. ... -
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Peak List 2 MSP
Simple peak list to MSP file converter
Peak List 2 MSP takes your ascii mass/intensity pair list (or lists) and swaps them into MSP format (NIST standard text files for searching). It: takes lists from the clipboard (or drag and drop), sorts them by mass, normalises intensities, rejects below a cut off (that you define), adds MSP headers, puts the result back in the clipboard (or a file), has a command line interface so you can pass files in programmatically, has an api so you can call it in your own code (should you feel the urge). ... -
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MGF2MGF CH
Convert mgf mass values to their nearest elemental formula
...You: specify the input line that contains the empirical formula of the parent ion, specify the key that identifies a formula and then the formula) separated by one space character, either drag and drop mgf files onto the window, or pass filenames though a command line argument. Command line arguments: /? displays help information /w runs in windowed mode (the thing you are looking at now) /f anything following is a file you want to process. Things you should know: The elemental composition is not a sophisticated calculation. -
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MGF 2 FOR-JSON
Conversion of MGF files to JSON format
Want to convert an MGF file to JSON format? This is the app for you, especially if you want to use the JSON file in the FOR-IDENT search program. If you don't know what MGF file, JSON format, FOR-IDENT search program is then this isn't the app for you. Happy conversion! -
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Peptide3D 2 MGF
Converter for Peptide3D.xml to MGF
Ever wanted to make an MGF file from a Peptide3D.xml output? If so then this is for you. Simply drag the xml onto the window and that's it. All the information needed is contained within the xml file. You get your mgf in the same place, same name, different extension. -
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runjags
The 'runjags' R package and standalone JAGS extension module
This package provides high-level interface utilities for MCMC models via Just Another Gibbs Sampler (JAGS), facilitating the use of parallel (or distributed) processors for multiple chains, automated control of convergence and sample length diagnostics, and evaluation of the performance of a model using drop-k validation or against simulated data. Template model specifications can be generated using a standard lme4-style formula interface to assist users less familiar with the BUGS syntax. A JAGS extension module provides additional distributions including the Pareto family of distributions, the DuMouchel prior and the half-Cauchy prior. -
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Lab Storage
Rediscover the Simplicity http://www.atgclabs.com/
Help us to improve Freezer Web Access. We want to hear your feedback! Request new Freezer Web Access feature or module and receive a free Single User version with new feature. https://www.atgclabs.com/products/fw Freezer Web Access is a user friendly program designed to assist researchers with establishing an efficient system for storing frozen biological samples. FWA can track all of your research, development and process scale-up data in a single data storage platform, providing a... -
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Sample Tracking
Rediscover the Simplicity http://www.atgclabs.com/
Help us to improve Freezer Web Access. We want to hear your feedback! Request new Freezer Web Access feature or module and receive a free Single User version with new feature. https://www.atgclabs.com/products/fw Freezer Web Access is a user friendly program designed to assist researchers with establishing an efficient system for storing frozen biological samples. FWA can track all of your research, development and process scale-up data in a single data storage platform, providing a... -
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FunMod Network Analysis
FunMod is an innovative Cytoscape version 2.8
1. Downlaod FunMod_2_8_3.rar file. 2. Drag-and-drop the FunMod_2_8_3.jar file into the Cytoscape plugin directory. 3. Follow the FunMod quick guide -
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Laboratory notebook using version control system and independent date-time stamping (as notarization), in order to ensure record accountability, auditing, and conforming to US FDA 21 CFR 21's rule on electronic records. Please kindly rate this application or drop me an email at [ mauriceling AT acm DOT org ] so that I can hear from you. Otherwise, I have no idea who the users are. Please kindly help.
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