Search Results for "using" - Page 4
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Showing 92 open source projects for "using"
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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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Numerical Resolution of the Inverse Problem for Chromatography using Evolutionary Algorithms and Adaptive Multiresolution. The goal is to identify the multicomponent equilibrium isotherm from experimental chromatograms.
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...It analyses molecular structures and molecular dynamics (MD) trajectories from the AMBER, GROMACS, TINKER and DISCOVER (TM) programs. Simple graphics are provided by using the X11/XLIB library.
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PIMC++ is a code designed to perform fully-correlated simulations of quantum systems in continuous space at finite temperature using Path Integral Monte Carlo. It is designed in a modular way to facilitate easy addition of new algorithms.
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Retool your internal operationsBuild internal software that meets enterprise security standards without waiting on engineering resources. Retool connects to your databases, APIs, and data sources while maintaining the permissions and controls you need. Create custom dashboards, admin tools, and workflows from natural language prompts—all deployed in your cloud with security baked in. Stop duct-taping operations together, start building in Retool.
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GVIB is a user friendly package for vibrational analysis. Given a molecular geometry, it will calculate vibrational frequencies and intensities using anharmonic internuclear potential.
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Mito-MAS-m is a simulator of the mitochondrial inner membrane and the enzymatic complexes embedded in it, implementing a coarse-grained (CG) model of the molecules using rigid structures and Dissipative Particules Dynamics (DPD) as motion equation.
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A Molecular Chemical Viewer using OpenGL and Platform independent provided for the study of Chemicals, including physical, chemical and visual properties.
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PyDespike is a cross platform (Windows, Mac, Linux) program written in Python using the PyQt and PyQwt libraries used to graphically process (despike) raman or other spectroscopic data in an efficient manner.
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...It consists of two parts: SyMM a backend which determines the point group of a molecule and glSyMM which allows one to display the symmetry opperations on a molecule using OpenGL.
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Incredable is the first DLT-secured platform that allows you to save time, eliminate errors, and ensure your organization is compliant all in one place.Incredable streamlines and simplifies the complex process of medical credentialing for hospitals and medical facilities, helping you save valuable time, reduce costs, and minimize risks. With Incredable, you can effortlessly manage all your healthcare providers and their credentials within a single, unified platform. Our state-of-the-art technology ensures top-notch data security, giving you peace of mind.
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GAST-Viz is a toolkit allowing for the creation of OpenGL atomistic simulation applications using discrete element modeling methods. A number of sample applications are included.
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gorbital is a atomic orbital viewer written using gtkmm (gtk--). gorbital displays a 3d interactive view of a electron orbitals. It is meant to be an open source viewer much like Orbital Viewer by David Manthey (http://www.orbitals.com/orb/).
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A Java program to parse chemical names using IUPAC nomenclature. The output can be either a visualisation of the molecule, or in a form for other programs to use (e.g. CML).
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This project provides open software for working with analytical instrumentation data using the ASTM "ANDI" standard.
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ABE is a small, fast and convenient program for visualizing and modeling experimental bioassay data. The data can be modeled using either polynomials or a more specific four-parameter model based upon the standard, sigmoidal dose-response curve.
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Ever had to use xyz coordinate files during your academic career? Remember the work it took to do some trivial operations on these files? This is all over now. Using the xyz-ops program you can do accurate translations, rotations, ... on your files
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dmcut2 is a scientific program designed to simulate chemical reactions at surfaces using Metropolis and Monte-Carlo methods. Short ranged interactions between adsorbates may be taken into account. Emphasis was put on code readability and usability.
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this is a small project which provides several mathematical function useful for a chemist or somebody working with mass specs. The goal is to provide several cuda and c based functions which can be easily accessed using java, groovy and python.
