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  1. fpocket fpocket Public

    fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and…

    C 506 97

  2. dng_dl_speknn dng_dl_speknn Public

    Jupyter Notebook 8 4

  3. 3d-editor 3d-editor Public

    Python 5 1

  4. rdkit_tethered_minimization rdkit_tethered_minimization Public

    Bits and pieces around rdkit

    Python 4 5

  5. kinometree kinometree Public

    Forked from pschmidtke/kinometree

    HTML 2 1

  6. api_python_3decision api_python_3decision Public archive

    Small python wrapper for the 3decision REST API

    Python 2 1

Repositories

Showing 10 of 27 repositories
  • quickstart-discngine-3decision Public

    AWS Quick Start Team

    Discngine/quickstart-discngine-3decision's past year of commit activity
    HCL 0 Apache-2.0 2 0 0 Updated Sep 14, 2026
  • fpocket Public

    fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and extract pocket descriptors on a large scale level. fpocket is distributed as free open source software. If you are interested in integrating fpocket …

    Discngine/fpocket's past year of commit activity
    C 506 MIT 97 53 (3 issues need help) 8 Updated Mar 9, 2026
  • 3decision_plugin_maestro Public
    Discngine/3decision_plugin_maestro's past year of commit activity
    Python 0 0 0 0 Updated Feb 6, 2026
  • 3decision_plugin_chimerax Public
    Discngine/3decision_plugin_chimerax's past year of commit activity
    Python 0 MIT 0 0 0 Updated Feb 2, 2026
  • 3decision_plugin_pymol Public
    Discngine/3decision_plugin_pymol's past year of commit activity
    Python 0 0 0 0 Updated Jan 29, 2026
  • Indigo Public Forked from epam/Indigo

    Universal cheminformatics toolkit, utilities and database search tools

    Discngine/Indigo's past year of commit activity
    C++ 0 Apache-2.0 138 0 0 Updated Jul 3, 2025
  • biotite Public Forked from biotite-dev/biotite

    A comprehensive library for computational molecular biology

    Discngine/biotite's past year of commit activity
    Python 2 BSD-3-Clause 148 0 0 Updated Nov 18, 2024
  • HELM2WebService Public Forked from PistoiaHELM/HELM2WebService

    Restful web service that exposes the functionalities of HELM2NotationToolkit.

    Discngine/HELM2WebService's past year of commit activity
    JavaScript 0 MIT 4 0 0 Updated Oct 25, 2024
  • molfile_plugin Public

    fork of VMD molfile plugin

    Discngine/molfile_plugin's past year of commit activity
    C 0 0 1 0 Updated Jul 23, 2024
  • node-config-builder Public Forked from IBM-Cloud/node-config-builder
    Discngine/node-config-builder's past year of commit activity
    JavaScript 0 MIT 6 0 3 Updated Apr 15, 2024
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