Issues

• Custom Charge

  CBDD/rDock#156 · Filter by author Jotaro1004 opened on Dec 8, 2025

• [PoC] Implement streaming operations for rdock utils

  CBDD/rDock#155 · Filter by author ggutierrez-sunbright opened on Nov 8, 2025

• Fix deprecation warnings

  qualityupgrade
  Task

  CBDD/rDock#153 · Filter by author ggutierrez-sunbright opened on Apr 16, 2025
  

• Improve TRIPOS atom type parsing

  enhancementqualityupgrade
  CBDD/rDock#152 · Filter by author ggutierrez-sunbright opened on Apr 6, 2025
  

• Create additional integration tests for rbcavity and rbdock

  CI/CDtesting
  CBDD/rDock#146 · Filter by author ggutierrez-sunbright opened on Feb 12, 2025
  1

  

• Upgrade to clang-format 20

  CI/CDqualityupgrade
  Task

  CBDD/rDock#145 · Filter by author ggutierrez-sunbright opened on Feb 3, 2025
  

• Issue: Discrepancy in Scoring Function when Docking with HOH in rDock

  support
  CBDD/rDock#123 · Filter by author Arthurcarre opened on Jun 17, 2024
  2

  

• Question: Expected behaviour of scoring function parameter overrides in docking protocol parameter file.

  CBDD/rDock#118 · Filter by author Beetelbrox opened on Jun 6, 2024

• Check possible bug for file reading

  bug
  CBDD/rDock#113 · Filter by author ggutierrez-sunbright opened on May 5, 2024

• upgrade to cxxopts in rbdock

  upgrade
  CBDD/rDock#111 · Filter by author ggutierrez-sunbright opened on May 3, 2024 · libpopt removal
  

• Standardize behaviors and designs in rdock-utils

  rdock-utils
  CBDD/rDock#110 · Filter by author ggutierrez-sunbright opened on May 3, 2024 · rdock-utils migration

• refactor rbhtfinder

  rdock-utilsupgrade
  CBDD/rDock#107 · Filter by author ggutierrez-sunbright opened on Apr 25, 2024 · rdock-utils migration

• Improve configuration files for HTVS configuration (--filter option)

  CBDD/rDock#98 · Filter by author ggutierrez-sunbright opened on Apr 14, 2024

• Improve sdf parsing

  bugenhancementupgrade
  CBDD/rDock#95 · Filter by author ggutierrez-sunbright opened on Apr 13, 2024

• replace libpopt with cxxopts

  upgrade
  CBDD/rDock#82 · Filter by author ggutierrez-sunbright opened on Feb 6, 2024 · libpopt removal
  

• sdreport

  CBDD/rDock#78 · Filter by author ggutierrez-sunbright opened on Feb 3, 2024
  1

• allow CI to skip builds of unrelated projects

  CI/CDenhancement
  CBDD/rDock#63 · Filter by author ggutierrez-sunbright opened on Dec 24, 2023

• migrate perl scripts

  rdock-utils
  CBDD/rDock#61 · Filter by author ggutierrez-sunbright opened on Dec 23, 2023 · rdock-utils migration

• bioconda rdock recipe update

  CI/CD
  CBDD/rDock#60 · Filter by author ggutierrez-sunbright opened on Dec 23, 2023

• migrate all perl and python scripts to python3

  rdock-utils
  CBDD/rDock#55 · Filter by author ggutierrez-sunbright opened on Dec 21, 2023 · rdock-utils migration

• fix error: maybe-uninitialized

  enhancement
  CBDD/rDock#52 · Filter by author ggutierrez-sunbright opened on Dec 17, 2023

• Update TNT to newest version

  upgrade
  CBDD/rDock#50 · Filter by author ggutierrez-sunbright opened on Dec 8, 2023

• RBT_DOCKING_ERROR at src/lib/RbtPopulation.cxx, line 85

  CBDD/rDock#41 · Filter by author min0210 opened on Jul 24, 2023

• enable address sanitizer

  CBDD/rDock#37 · Filter by author ggutierrez-sunbright opened on Jun 3, 2023

• Connect pipeline to docker registry

  CI/CDenhancement
  CBDD/rDock#29 · Filter by author ggutierrez-sunbright opened on May 13, 2023