Showing 7 open source projects for "atomic distance"

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    Tipalti delivers smart payables that elevate modern business.

    Our robust pre-built connectors and our no-code, drag-and-drop interface makes it easy and fast to automatically sync vendors, invoices, and invoice payment data between Tipalti and your ERP or accounting software.
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    Efficient Cloud Printing | CirrusPrint

    Companies searching for an efficient cloud and network printing solution that helps print from their cloud or on-premise ERP

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  • 1
    Alphafold2

    Alphafold2

    Unofficial Pytorch implementation / replication of Alphafold2

    ... a straight pytorch translation with some improvements on positional encoding. lhatsk has reported training a modified trunk of this repository, using the same setup as trRosetta, with competitive results. The underlying assumption is that the trunk works on the residue level, and then constitutes to atomic level for the structure module, whether it be SE3 Transformers, E(n)-Transformer, or EGNN doing the refinement.
    Downloads: 6 This Week
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  • 2
    levin

    levin

    in-memory key value server with fuzzy search capabilities

    Levin is an event-based key/value server based on radix-tree (space optimized trie). Key search can be performed with an approximate key matching algorithm based on Levenshtein edit distance.
    Downloads: 0 This Week
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  • 3
    MoleculeViewer

    MoleculeViewer

    View 3D molecule structure and plot 2D density map for CRYSTAL program

    A Java sotware for viewing 3D molecule structure and plotting 2D density map. The atomic positions (coordinates) are read from files for the CRYSTAL and GAUSSIAN programs. Supported files: 1. *.xyz (molecule cartesian coordinates file) 2. *.gjf (GAUSSIAN's input file) 3. *.out (CRYSTAL98&2k's scf or properties output file) 4. fort.25 (CRYSTAL98&2k's ECHG(Electronic Charge Density) outpit file with fort.25 format). Molecule's 3D operations: Left drag : free rotate Right drag...
    Downloads: 0 This Week
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  • 4

    ppienergy

    Compute Protein Protein Interaction Energy Profile

    Protein-protein interactions (PPIs) are crucial for understanding the signaling and disease mechanisms in a cell. In the present work, we have developed a new approach to explore the energy landscape of protein-protein interactions by employing a rapid modified DFT-D approach using the atomic coordinates obtained from X-ray and NMR spectroscopy data. The distance energy plots of contact residues in the interacting regions of several experimentally validated protein-protein complexes were...
    Downloads: 0 This Week
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  • Compliance Operations Platform. Built to Scale. Icon
    Compliance Operations Platform. Built to Scale.

    Gain the visibility, efficiency, and consistency you and your team need to stay on top of all your security assurance and compliance work.

    Hyperproof makes building out and managing your information security frameworks easy by automating repetitive compliance operation tasks so your team can focus on the bigger things. The Hyperproof solution also offers powerful collaboration features that make it easy for your team to coordinate efforts, collect evidence, and work directly with auditors in a single interface. Gone are the days of uncertainty around audit preparation and compliance management process. With Hyperproof you get a holistic view of your compliance programs with progress tracking, program health monitoring, and risk management.
  • 5

    ForceReader

    Soft for force spectroscopy data analysis

    A simple Windows application for data of atomic force spectroscopy (force-distance curves) analysis. It is adopted for Veeco/Bruker Picoforce file format, but it is possible to use it for analysis of txt-table data.
    Downloads: 1 This Week
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  • 6
    piv_clustering

    piv_clustering

    structural clustering of atomic trajectories based on PIV

    This program allows to perform a structural cluster analysis of atomic trajectories obtained, e.g., from molecular dynamics simulations. At variance with other approaches, it is possible to analyse also processes in solution, e.g., chemical reactions in liquid water, since the distance metric is based on a Permutation Invariant Vector (PIV) that is symmetric under exchange of identical atoms or molecules, including on the same footing both solute and solvent degrees of freedom. The approach...
    Downloads: 0 This Week
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  • 7
    BondInfo

    BondInfo

    BondInfo - a program for interatomic distances analysis

    BondInfo is used for analysis of interatomic distances using atomic, covalent radii of the elements and electronegativity. A possibility to analyse the distances between two sites with statistical mixtures of two atoms is avaliable. BondInfo calculates the relative contribution of covalent, ionic, and metallic bonding between 2 atoms (or statistical mixtures)
    Downloads: 0 This Week
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