Search Results for "python" - Page 5
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Showing 147 open source projects for "python"
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AI Powered Global HCM for the Evolving World of WorkDarwinbox is a new-age & disruptive mobile-first, cloud-based HRMS platform built for the large enterprises to attract, engage and nurture their most critical resource - talent. It is an end-to-end integrated HR system that aids in streamlining activities across the employee lifecycle (Hire to Retire). Our powerful enterprise product features are built with a clear focus on intuitiveness and scalability, with standards of best in class consumer apps. Darwinbox’s motto is to engage, empower, and inspire employees on one side in addition to automating and simplifying all HR processes for the enterprise on the other. Over 350+ leading enterprises with 850k users manage their entire employee lifecycle on this unified platform.
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Empower Your Workforce and Digitize Your Shop FloorEasily connect to most tools and equipment on the shop floor, enabling efficient data collection and boosting productivity with vital insights. Turn information into action to generate new ideas and better processes.
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pyitc is designed for processing and analysing isothermal titration calorimetry experimental data (Microcal instruments).
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Metmask has moved to github http://github.com/hredestig/metmask Metmask is a tool written in python for managing chemical identifiers for metabolomics experiments. It can incorporate identifiers from local textfiles, several online databases, query PubChem and record all found associations in a local sqlite database.
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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.
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A tool for visualization, classification, and quantification of three-dimensional secondary ion mass spectrometry data.
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PageDNA: Web-to-Print eCommerce SoftwarePageDNA enables successful eCommerce strategies for commercial print sales organizations, internal print shops, and brand owners. PageDNA’s online ordering platform increases print volume while decreasing touch costs for all stakeholders: clientele, print operations, and the organizations they support.
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FAUNUS is an object oriented class library for molecular simulation, written in C++. It contains routines and utility programs for, Metropolis Monte Carlo sampling (NVT, NPT, NmuT ensembles), Macromolecules, Proton Titration, Widom Analysis etc.
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A univariate and multivariate analysis UI. This project is no longer under development. Please use as you wish.
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This software can be used to calculate thermochemical and kinetic quantities like, enthalpy, entropy, heat capacity and transition state theory rate constants from spectroscopic/quantum data.
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Python program for fitting rate constants to primarily kinetic data as 1st or 2nd order kinetics or autocatalysis. It also allows specific noise cancelling, data smoothing by fourrier transform, box averaging and flowing mean. For Python 2.6 or earlier.
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LinkSquares: All-in-One Contract Management PlatformLinkSquares is the leading Contract Lifecycle Management (CLM) software designed to help legal, procurement, and business operations teams master the entire contract lifecycle, from creation to execution and renewal. The platform transforms how companies manage agreements by centralizing data, automating routine work, and providing actionable insights powered by AI. This single, connected source of truth helps teams eliminate manual processes, streamline workflows, boost visibility, and ensure compliance across thousands of contracts, ultimately reducing risk and administrative burden.
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Use SASSIE to generate and manipulate large numbers of molecular structures and then calculate the SAXS, SANS, and neutron reflectivity profiles from atomistic structures. Use for intrinsically disordered proteins. We need alpha-testers and developers.
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Tandem mass spectral peptide identification and validation software, similar to X!Tandem, OMSSA, MyriMatch. Suitable for single hosts through large clusters. Written in Python for simplicity, with performance-critical sections in C++.
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TheoChemPy is a python library providing common functionalities for Theoretical and Computational chemists.
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Sudsy is a saponification calculator coded in Python. The CLI works fine, but the PyGTK version still needs some work...The interface is designed and it starts up, but some of the callbacks still need to be implemented. Let me know if you can help.
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PyChemEq is an Open Source project which goal is to simulate chemical equilibrums. It provides classes (that are the project's "kernel" ) and a user interface using PyGtk and Glade. The whole project will be written in Python.
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Goldify is a set of tools that allow automated addition of links into electronic documents. Its main purpose is to allow such addition of links into documents that wish to link to the IUPAC GoldBook (http://goldbook.iupac.org).
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IFEFFIT is a library and set of interactive programs for the analysis of x-ray absorption fine-structure (XAFS) data. IFEFFIT combines state-of-the-art analysis algorithms with graphical display of XAFS data, and general data manipulation. It can be
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WebBabel is a python web application using OpenBabel to convert files from one format to another. It runs under Windows, Mac or Linux on your desktop, workstation or laptop. It uses the Jmol (or Marvin) viewer to show the structures being converted.
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easy to use sepctrography software. allow to display spectrography curves, and to overlay severals curves. you can create firste or second derivatives from the curves, or place marks to identify peaks. finals drawings can be saved as png or pdf files.
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This is the first force-matching software published with the ability to do general coarse-graining for molecular systems.
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Quantum Monte Carlo algorithms expressed in Python. This code calculates electronic properties of atoms and molecules from first principles.
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QMcBeaver is an object-oriented program to perform Quantum Monte Carlo calculations on atoms and molecules. It is designed to be easy to modify, allowing new ideas to be quickly implemented.
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This project going to develop a thermodinamical server for chemical simulation, equip design, scientific module for other aplication or chemical education. Also the thermo server is developed to complete the project of chemical simulation Sim42.Spanish
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This project is A Mitochondrial OxydoReduction Simulation System. It consists of two linked projects: a program for displaying and analysing large biomolecular systems (Floral) and a multi-agent simulator for biomolecular oxydoreduction systems (AMORSS).
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BrennerMD is a public domain Fortran molecular dynamics program by Donald Brenner and other people. This project is to maintain the original source code and to build a Python interface on top of it.
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pyPulsar is a program for simulation and fitting of solid-state NMR spectra. It provides scripting facilities using Python. (This project was not developed for a long time: It will be soon moved in a new project currently developed)
