CBDD/rDock

Issues

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

  #123 opened 7 days ago by Arthurcarre
  0

• Drop support for centos 7

  #99 opened 16 days ago by ggutierrez-sunbright
  0

• Prepare configuration parsing overhaul

  #122 opened 16 days ago by ggutierrez-sunbright
  0

• Update supported centos versions

  #120 opened 16 days ago by ggutierrez-sunbright
  0

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

  #118 opened 18 days ago by Beetelbrox
  0

• Add a test framework to the project

  #114 opened a month ago by ggutierrez-sunbright
  0

• Check possible bug for file reading

  #113 opened 2 months ago by ggutierrez-sunbright
  0

• replace libpopt with cxxopts

  #82 opened 5 months ago by ggutierrez-sunbright
  0

• upgrade to cxxopts in rbdock

  #111 opened 2 months ago by ggutierrez-sunbright
  0

• upgrade to cxxopts in rbcavity

  #88 opened 2 months ago by ggutierrez-sunbright
  0

• migrate all perl and python scripts to python3

  #55 opened 6 months ago by ggutierrez-sunbright
  0

• migrate perl scripts

  #61 opened 6 months ago by ggutierrez-sunbright
  0

• sdsort

  #77 opened 2 months ago by ggutierrez-sunbright
  0

• Standardize behaviors and designs in rdock-utils

  #110 opened 2 months ago by ggutierrez-sunbright
  0

• refactor rbhtfinder

  #107 opened 2 months ago by ggutierrez-sunbright
  0

• RBT_FILE_READ_ERROR

  #106 opened 2 months ago by leticrisassis
  0

• Remove deprecated legacy build system and related documentation

  #101 opened 2 months ago by ggutierrez-sunbright
  0

• Add support for ubuntu 24.04

  #104 opened 2 months ago by ggutierrez-sunbright
  0

• Release rDock legacy version

  #100 opened 2 months ago by ggutierrez-sunbright
  1

• Create permanent branch for rDock legacy version

  #96 opened 2 months ago by ggutierrez-sunbright
  0

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

  #98 opened 2 months ago by ggutierrez-sunbright
  0

• Improve sdf parsing

  #95 opened 2 months ago by ggutierrez-sunbright
  0

• RBT_MODEL_ERROR

  #91 opened 4 months ago by leticrisassis
  6

• Grid-based VdW Scoring Option

  #92 opened 4 months ago by Arthurcarre
  2

• Update TNT to newest version

  #50 opened 7 months ago by ggutierrez-sunbright
  0

• migrate sdsplit to python3

  #76 opened 4 months ago by ggutierrez-sunbright
  0

• Unable to execute

  #72 opened 4 months ago by nayanmondal1337
  7

• Add dynamic versioning at compile time

  #84 opened 5 months ago by ggutierrez-sunbright
  0

• add the cxxopts library

  #85 opened 5 months ago by ggutierrez-sunbright
  0

• migrate sdmodify to rdock-utils

  #79 opened 5 months ago by ggutierrez-sunbright
  0

• sdreport

  #78 opened 5 months ago by ggutierrez-sunbright
  0

• migrate sdfilter to python3

  #74 opened 5 months ago by ggutierrez-sunbright
  0

• migrate python scripts

  #59 opened 5 months ago by ggutierrez-sunbright
  0

• migrate sdtether

  #71 opened 5 months ago by ggutierrez-sunbright
  0

• migrate sdrmsd

  #66 opened 5 months ago by ggutierrez-sunbright
  0

• macOS installation

  #54 opened 5 months ago by alyferryhalo
  1

• [rdock-utils] update linting tools

  #64 opened 5 months ago by ggutierrez-sunbright
  0

• allow CI to skip builds of unrelated projects

  #63 opened 6 months ago by ggutierrez-sunbright
  0

• bioconda rdock recipe update

  #60 opened 6 months ago by ggutierrez-sunbright
  0

• setup ci/cd

  #58 opened 6 months ago by ggutierrez-sunbright
  0

• create a basic package structure

  #56 opened 6 months ago by ggutierrez-sunbright
  0

• increase warnings for build

  #40 opened 6 months ago by ggutierrez-sunbright
  2

• fix error: maybe-uninitialized

  #52 opened 6 months ago by ggutierrez-sunbright
  0

• Store build artifacts for pull requests and releases

  #43 opened 7 months ago by ggutierrez-sunbright
  0

• add support for clang

  #38 opened 7 months ago by ggutierrez-sunbright
  0

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

  #41 opened a year ago by min0210
  0

• remove permissive flag

  #35 opened a year ago by ggutierrez-sunbright
  0

• enable address sanitizer

  #37 opened a year ago by ggutierrez-sunbright
  0

• use github actions cache for docker build steps

  #30 opened a year ago by ggutierrez-sunbright
  0

• Connect pipeline to docker registry

  #29 opened a year ago by ggutierrez-sunbright
  0