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@drugdata

Drug Design Data Resource

An Open Resource to Advance Computer-Aided Drug Design

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  1. D3R D3R Public

    Drug Design Data Resource is a suite of software to enable filtering, docking, and scoring of new sequences from wwpdb.

    Python 23 10

  2. D3R_grandchallenge_evaluator D3R_grandchallenge_evaluator Public

    Python based scripts for D3R grand challenge 2 analysis

    Python 14 4

  3. d3r_in_house_glide d3r_in_house_glide Public

    Python 2

  4. internal_autodockvina_contestant internal_autodockvina_contestant Public

    In-house AutoDock Vina contestant for D3R CELPP competition

    Python 1 1

  5. cookiecutter-pycustomdock cookiecutter-pycustomdock Public

    Cookiecutter template to create Python packages to perform custom docking for D3R CELPP challenge

    Python 1

  6. d3r_in_house_oe_fred d3r_in_house_oe_fred Public

    Python

Repositories

Showing 10 of 14 repositories
  • D3R Public

    Drug Design Data Resource is a suite of software to enable filtering, docking, and scoring of new sequences from wwpdb.

    drugdata/D3R’s past year of commit activity
    Python 23 10 45 1 Updated Dec 26, 2022
  • D3R_GC2 Public

    Archived input files for Grand Challenge 2

    drugdata/D3R_GC2’s past year of commit activity
    0 0 0 0 Updated Sep 12, 2021
  • D3R_GC4 Public

    Archived input files for Grand Challenge 4

    drugdata/D3R_GC4’s past year of commit activity
    0 1 0 0 Updated Sep 12, 2021
  • D3R_GC3 Public

    Archived input files for Grand Challenge 3

    drugdata/D3R_GC3’s past year of commit activity
    0 0 0 0 Updated Sep 12, 2021
  • D3R_GC2015 Public

    Archived input files for Grand Challenge 2015

    drugdata/D3R_GC2015’s past year of commit activity
    0 0 0 0 Updated Sep 12, 2021
  • puppet-d3r Public

    Contains puppet configuration to provision a machine that can run D3R software

    drugdata/puppet-d3r’s past year of commit activity
    Puppet 0 1 1 0 Updated Dec 10, 2018
  • tutorial_rdock_implementation Public

    rDock implementation from Jeff's CELPPade video

    drugdata/tutorial_rdock_implementation’s past year of commit activity
    Python 0 1 1 0 Updated Oct 29, 2018
  • internal_autodockvina_contestant Public

    In-house AutoDock Vina contestant for D3R CELPP competition

    drugdata/internal_autodockvina_contestant’s past year of commit activity
    Python 1 1 0 0 Updated Oct 29, 2018
  • d3r_in_house_glide Public
    drugdata/d3r_in_house_glide’s past year of commit activity
    Python 2 0 1 0 Updated Oct 8, 2018
  • d3r_in_house_glide_phdependent Public
    drugdata/d3r_in_house_glide_phdependent’s past year of commit activity
    Python 0 0 0 0 Updated Jul 12, 2018
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