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@sdonglab

Dong Lab

Computational chemistry research group at Northeastern University

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  1. molextract molextract Public

    Parse Molcas/OpenMolcas (and other computational chemistry software) output files in a modular way

    Python 8 1

  2. molUP molUP Public

    Forked from BioSIM-Research-Group/molUP

    molUP is a VMD extension that provides a simple manner for loading and saving Gaussian files, and analyze related results.

    Tcl

  3. DM-AS-Chooser DM-AS-Chooser Public

    Python

  4. pdbxyz-xyzpdb pdbxyz-xyzpdb Public

    Forked from emleddin/pdbxyz-xyzpdb

    Scripts to convert between PDB to Tinker XYZ files, without using the existing TINKER programs for conversion.

    Python

Repositories

Showing 4 of 4 repositories
  • molextract Public

    Parse Molcas/OpenMolcas (and other computational chemistry software) output files in a modular way

    sdonglab/molextract’s past year of commit activity
    Python 8 GPL-2.0 1 6 0 Updated Jun 12, 2023
  • pdbxyz-xyzpdb Public Forked from emleddin/pdbxyz-xyzpdb

    Scripts to convert between PDB to Tinker XYZ files, without using the existing TINKER programs for conversion.

    sdonglab/pdbxyz-xyzpdb’s past year of commit activity
    Python 0 5 0 0 Updated May 25, 2023
  • DM-AS-Chooser Public
    sdonglab/DM-AS-Chooser’s past year of commit activity
    Python 0 0 0 0 Updated Apr 7, 2023
  • molUP Public Forked from BioSIM-Research-Group/molUP

    molUP is a VMD extension that provides a simple manner for loading and saving Gaussian files, and analyze related results.

    sdonglab/molUP’s past year of commit activity
    Tcl 0 MIT 4 0 0 Updated Jan 26, 2023

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