18 programs for "chem" with 1 filter applied:

  • RMM Software | Remote Monitoring Platform and Tools Icon
    RMM Software | Remote Monitoring Platform and Tools

    Best-in-class automation, scalability, and single-pane IT management.

    Don’t settle when it comes to managing your clients’ IT infrastructure. Exceed their expectations with ConnectWise RMM, our MSP RMM software that provides proactive tools and NOC services—regardless of device environment. With the number of new vulnerabilities rising each year, smart patching procedures have never been more important. We automatically test and deploy patches when they are viable and restrict patches that are harmful. Get better protection for clients while you spend less time managing endpoints and more time growing your business. It’s tough to locate, afford, and retain quality talent. In fact, 81% of IT leaders say it’s hard to find the recruits they need. Add ConnectWise RMM, NOC services and get the expertise and problem resolution you need to become the advisor your clients demand—without adding headcount.
  • All-in-One Payroll and HR Platform Icon
    All-in-One Payroll and HR Platform

    For small and mid-sized businesses that need a comprehensive payroll and HR solution with personalized support

    We design our technology to make workforce management easier. APS offers core HR, payroll, benefits administration, attendance, recruiting, employee onboarding, and more.
  • 1

    ERmod

    Approximate solvation free energy calculator

    ERmod (Energy Representation Module) is a program to calculate the solvation free energy based on the energy representation method (J. Chem. Phys. 113, 6070 (2000)). The program allows users to calculate the solvation free energy to arbitrary solvents, including inhomogeneous systems, and can run in cooperation with state-of-art molecular simulation software, such as LAMMPS, GROMACS and/or AMBER.
    Downloads: 4 This Week
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  • 2

    GenForm

    Generation of molecular formulas by high-resolution MS and MS/MS data

    This is an open source implementation of molecular formula calculation by high resolution MS and MS/MS data as described in M. Meringer, S. Reinker, J. Zhang, A. Muller: MS/MS Data Improves Automated Determination of Molecular Formulas by Mass Spectrometry. MATCH Commun. Math. Comput. Chem. 65, 259-290, 2011. The software user manual is available here: https://www.researchgate.net/publication/307964728_MOLGEN-MSMS_Software_User_Manual Example MS and MS/MS data files for GenForm can...
    Downloads: 4 This Week
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  • 3
    Aestel

    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...
    Downloads: 0 This Week
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  • 4
    TheoDORE

    TheoDORE

    Theoretical Density, Orbital Relaxation and Exciton analysis

    The TheoDORE (Theoretical Density, Orbital Relaxation and Exciton analysis) package is a general purpose program suite for the analysis of excited states obtained from quantum chemical excited state calculations. Wavefunction analysis is based on state and transition density matrices, which provides a unified formalism applicable independent of the wavefunction model. TheoDORE is interfaced to a number of quantum chemical programs (Q-Chem, Columbus, Turbomole, ...) and can be used...
    Downloads: 13 This Week
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  • Control remote support software for remote workers and IT teams Icon
    Control remote support software for remote workers and IT teams

    Raise the bar for remote support and reduce customer downtime.

    ConnectWise ScreenConnect, formerly ConnectWise Control, is a remote support solution for Managed Service Providers (MSP), Value Added Resellers (VAR), internal IT teams, and managed security providers. Fast, reliable, secure, and simple to use, ConnectWise ScreenConnect helps businesses solve their customers' issues faster from any location. The platform features remote support, remote access, remote meeting, customization, and integrations with leading business tools.
  • 5
    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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    Downloads: 148 This Week
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  • 6
    Estimates the maximum random close packing fraction of hard spheres with a distribution of diameters, based upon an algorithm in J. Chem. Phys. 131, 244104 (2009).
    Downloads: 2 This Week
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  • 7
    Python/xarray tutorial

    Python/xarray tutorial

    Python/xarray tutorial for GEOS-Chem users

    If the page is loaded successfully, you should see a Jupyter notebook interface. Then, click on the first notebook to get started. Jupyter combines Python code, execution results, plots, custom texts, and even Latex formulas in a single page. Besides using the Jupyter program, you can also view the static notebook on GitHub (e.g the first notebook). Python is free & open-source so can be easily installed on any machines. To best way to get the scientific Python environment is using the Conda...
    Downloads: 0 This Week
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  • 8
    orbkit (Moved to Github)

    orbkit (Moved to Github)

    A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum

    ... cite it as follows: Gunter Hermann, Vincent Pohl, Jean Christophe Tremblay, Beate Paulus, Hans-Christian Hege, and Axel Schild, "ORBKIT: A Modular Python Toolbox for Cross-Platform Postprocessing of Quantum Chemical Wavefunction Data", J. Comput. Chem. 2016, DOI: 10.1002/jcc.24358. orbkit's documentation can be found at http://orbkit.github.io/
    Downloads: 1 This Week
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  • 9
    ccwatcher

    ccwatcher

    A computational chemistry monitoring, parsing and plotting application

    ccwatcher monitors the progress of computational chemistry calculations during runtime. It has both a GUI and a "Command Line Interface" to which it parses important output and plots SCF energies.
    Downloads: 1 This Week
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  • Cyber Risk Assessment and Management Platform Icon
    Cyber Risk Assessment and Management Platform

    ConnectWise Identify is a powerful cybersecurity risk assessment platform offering strategic cybersecurity assessments and recommendations.

    When it comes to cybersecurity, what your clients don’t know can really hurt them. And believe it or not, keep them safe starts with asking questions. With ConnectWise Identify Assessment, get access to risk assessment backed by the NIST Cybersecurity Framework to uncover risks across your client’s entire business, not just their networks. With a clearly defined, easy-to-read risk report in hand, you can start having meaningful security conversations that can get you on the path of keeping your clients protected from every angle. Choose from two assessment levels to cover every client’s need, from the Essentials to cover the basics to our Comprehensive Assessment to dive deeper to uncover additional risks. Our intuitive heat map shows you your client’s overall risk level and priority to address risks based on probability and financial impact. Each report includes remediation recommendations to help you create a revenue-generating action plan.
  • 10
    MSL

    MSL

    http://dx.doi.org/10.1002/jcc.22968

    ... modeling or design). MSL is developed in the Senes Lab at the University of Wisconsin-Madison and by a team of developers/users from other research laboratories. Reference: Kulp DW, Subramaniam S, Donald JE, Hannigan BT, Mueller BK, Grigoryan G, Senes A. Structural informatics, modeling, and design with an open-source Molecular Software Library (MSL). J Comput Chem. 2012 vol. 33 pages 1645-61 Download article at http://dx.doi.org/10.1002/jcc.22968
    Downloads: 0 This Week
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  • 11
    piv_clustering

    piv_clustering

    structural clustering of atomic trajectories based on PIV

    ... is general and the definition of PIV only requires to specify the range of interatomic distances that is relevant for the process under study. Alternatively, also the SPRINT topological coordinates can be employed, that are particularly suited for nanostructures. The output is a partitioning of the trajectory into a few structural clusters (i.e., sets of frames), allowing for simpler analysis and visualization. Please read and cite Gallet & Pietrucci, J. Chem. Phys. 139, 074101 (2013)
    Downloads: 0 This Week
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  • 12
    OSCAR (Open Source Chemistry Analysis Routines) is software for the semantic annotation of chemistry papers. The modules OPSIN (a name to structure converter) and ChemTok (a tokeniser for chemical text) are also available as standalone libraries.
    Downloads: 0 This Week
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  • 13
    The Chemical Structures Project is a set of 3D structures of molecules in CML format. Each file contains also some physical properties, which can be access using a web browser or a CML file reader.
    Downloads: 1 This Week
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  • 14
    Mathematics, Chemistry and Bio-informatics semantic knowledge editor and simulation environment. It should serve as interactive science learning program or science classroom notebook and workshop.
    Downloads: 0 This Week
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  • 15
    SPECTRa is a suite of tools that make it easier to get chemistry data into Open Data repositories.
    Downloads: 1 This Week
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  • 16
    An analytical generalized Born model to calculate electrostatic solvation energy that accurately reproduces the linearized Poisson-Boltzmann equation. More about this method is explained in J. Phys. Chem. B, 111, 3055-3061 (2007).
    Downloads: 0 This Week
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  • 17
    A Mass Spectrometer B and Y ion labeling software for proteomics researchers. Peptide sequences can be read from a library and b and y ions will be calculated and sequence can be manipulated by the user (chem. mod. or amino acid mod.)
    Downloads: 0 This Week
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  • 18
    Chemikalienverwaltung (inkl. Bestände) nach deutschem Gesetz. Für Einrichtungen, die laut Einstufung (Schutzstufen) etwas in der Art haben müssen, aber nicht marktwirtschaftlich operieren (Schulen, Bildungsstätten, usw.).
    Downloads: 0 This Week
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