-
- Downloads
Merge branch 'release-2.9.1'
Showing
- CHANGELOG.txt 12 additions, 0 deletionsCHANGELOG.txt
- CMakeLists.txt 1 addition, 1 deletionCMakeLists.txt
- actions/ost-compare-ligand-structures 111 additions, 139 deletionsactions/ost-compare-ligand-structures
- actions/ost-compare-structures 1 addition, 1 deletionactions/ost-compare-structures
- docker/Dockerfile 1 addition, 1 deletiondocker/Dockerfile
- modules/conop/pymod/export_compound.cc 1 addition, 0 deletionsmodules/conop/pymod/export_compound.cc
- modules/doc/actions.rst 59 additions, 49 deletionsmodules/doc/actions.rst
- modules/io/src/mol/omf.cc 4 additions, 0 deletionsmodules/io/src/mol/omf.cc
- modules/mol/alg/doc/ligand_scoring.rst 6 additions, 0 deletionsmodules/mol/alg/doc/ligand_scoring.rst
- modules/mol/alg/pymod/ligand_scoring_base.py 531 additions, 263 deletionsmodules/mol/alg/pymod/ligand_scoring_base.py
- modules/mol/alg/pymod/ligand_scoring_lddtpli.py 2 additions, 3 deletionsmodules/mol/alg/pymod/ligand_scoring_lddtpli.py
- modules/mol/alg/pymod/ligand_scoring_scrmsd.py 2 additions, 3 deletionsmodules/mol/alg/pymod/ligand_scoring_scrmsd.py
- modules/mol/alg/tests/test_ligand_scoring.py 253 additions, 159 deletionsmodules/mol/alg/tests/test_ligand_scoring.py
- modules/mol/base/pymod/export_entity.cc 1 addition, 0 deletionsmodules/mol/base/pymod/export_entity.cc
- singularity/Singularity 1 addition, 1 deletionsingularity/Singularity
Loading
Please register or sign in to comment