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@Acellera

Acellera

Towards Computerized Drug Discovery

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  1. htmd htmd Public

    HTMD: Programming Environment for Molecular Discovery

    Rich Text Format 233 57

  2. moleculekit moleculekit Public

    MoleculeKit: Your favorite molecule manipulation kit

    Python 176 35

Repositories

Showing 10 of 26 repositories
  • func2argparse Public

    Converts python functions to argparse objects

    Python 2 0 0 0 Updated Nov 20, 2023
  • moleculekit Public

    MoleculeKit: Your favorite molecule manipulation kit

    Python 176 35 8 1 Updated Nov 17, 2023
  • rDock Public

    Fork of rDock to build for Ubuntu conda release

    C++ 0 LGPL-3.0 18 0 0 Updated Nov 16, 2023
  • SSTMap Public

    Solvation Structure and Thermodynamic Mapping

    Python 0 MIT 22 0 0 Updated Nov 14, 2023
  • htmd Public

    HTMD: Programming Environment for Molecular Discovery

    Rich Text Format 233 57 16 0 Updated Nov 6, 2023
  • htmd-data Public

    Data for HTMD tests and examples

    AMPL 0 1 0 0 Updated Nov 6, 2023
  • jobqueues Public

    jobschedules extracted from htmd/htmd/queues

    Python 0 0 0 0 Updated Oct 25, 2023
  • ffevaluation Public

    Forcefield evaluation in python using numba

    Python 4 2 2 0 Updated Oct 23, 2023
  • pdb2pqr Public

    PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.

    Python 0 29 0 0 Updated Mar 13, 2023
  • moleculekit-1 Public

    MoleculeKit: Your favorite molecule manipulation kit

    Python 0 35 0 0 Updated Nov 30, 2022
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