rdkit-devel
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[Rdkit-devel] RDKit 2021.x build for Windows with Mingw is broken
Veith, Thomas
Re: [Rdkit-devel] RDKit 2021.x build for Windows with Mingw is broken
Paolo Tosco
Re: [Rdkit-devel] RDKit 2021.x build for Windows with Mingw is broken
Paolo Tosco
[Rdkit-devel] 2021.03.1 RDKit Release
Greg Landrum
Re: [Rdkit-devel] 2021.03.1 RDKit Release
Greg Landrum
Re: [Rdkit-devel] 2021.03.1 RDKit Release
Rex Dwyer via Rdkit-devel
[Rdkit-devel] pandastool molecules -> excel
Rex Dwyer via Rdkit-devel
[Rdkit-devel] Beta of the 2021.03 release available
Greg Landrum
[Rdkit-devel] 2020.09.1 RDKit Release
Greg Landrum
[Rdkit-devel] Beta of the 2020.09 release available
Greg Landrum
[Rdkit-devel] SDF String Generation Include Stereo information
Emanuel Ehmki
Re: [Rdkit-devel] SDF String Generation Include Stereo information
Paolo Tosco
Re: [Rdkit-devel] SDF String Generation Include Stereo information
Greg Landrum
Re: [Rdkit-devel] SDF String Generation Include Stereo information
Emanuel Ehmki
[Rdkit-devel] 2020.03.1 RDKit Release
Greg Landrum
[Rdkit-devel] PostgreSQL PGXS-style Makefile, and RDGeneral/export.h: No such file or directory
Finnerty, Jim via Rdkit-devel
Re: [Rdkit-devel] PostgreSQL PGXS-style Makefile, and RDGeneral/export.h: No such file or directory
Paolo Tosco
Re: [Rdkit-devel] PostgreSQL PGXS-style Makefile, and RDGeneral/export.h: No such file or directory
Finnerty, Jim via Rdkit-devel
Re: [Rdkit-devel] PostgreSQL PGXS-style Makefile, and RDGeneral/export.h: No such file or directory
Greg Landrum
Re: [Rdkit-devel] PostgreSQL PGXS-style Makefile, and RDGeneral/export.h: No such file or directory
Greg Landrum
[Rdkit-devel] (no subject)
Greg Landrum
[Rdkit-devel] Fwd: [Boost-users] [Graph] Large incoming changes to Boost.Graph master.
Emanuel Ehmki
Re: [Rdkit-devel] Fwd: [Boost-users] [Graph] Large incoming changes to Boost.Graph master.
Greg Landrum
[Rdkit-devel] molecular representation underlying the postgresql cartridge for rdkit
Peter Schmidtke
Re: [Rdkit-devel] molecular representation underlying the postgresql cartridge for rdkit
Greg Landrum
Re: [Rdkit-devel] molecular representation underlying the postgresql cartridge for rdkit
Peter Schmidtke
[Rdkit-devel] 2019.09.1 RDKit Release
Greg Landrum
[Rdkit-devel] Beta of the 2019.09 release available
Greg Landrum
[Rdkit-devel] CI Update
Greg Landrum
[Rdkit-devel] GSoC-2019 RDKit-Neo4J project
Evgeniy Sorokin
Re: [Rdkit-devel] GSoC-2019 RDKit-Neo4J project
Greg Landrum
[Rdkit-devel] GSoC 2019 project introduction
Naruki Yoshikawa
[Rdkit-devel] Canonical representation of Bond stereochemistry
Dan Wandschneider
[Rdkit-devel] 2019.03.1 RDKit Release
Greg Landrum
Re: [Rdkit-devel] [Rdkit-announce] 2019.03.1 RDKit Release
Greg Landrum
[Rdkit-devel] 2019_03_1b1: lots of undefined references to libboost_iostreams functions
balducci
Re: [Rdkit-devel] 2019_03_1b1: lots of undefined references to libboost_iostreams functions
Greg Landrum
Re: [Rdkit-devel] 2019_03_1b1: lots of undefined references to libboost_iostreams functions
balducci
Re: [Rdkit-devel] 2019_03_1b1: lots of undefined references to libboost_iostreams functions
Paolo Tosco
Re: [Rdkit-devel] 2019_03_1b1: lots of undefined references to libboost_iostreams functions
balducci
[Rdkit-devel] Beta of the 2019.03 release available
Greg Landrum
Re: [Rdkit-devel] [Rdkit-discuss] Beta of the 2019.03 release available
Paolo Tosco
[Rdkit-devel] smiles parsing - rings
Jonas Boström
Re: [Rdkit-devel] smiles parsing - rings
Andrew Dalke
Re: [Rdkit-devel] smiles parsing - rings
Jonas Boström
[Rdkit-devel] 2018.09.1 RDKit Release
Greg Landrum
[Rdkit-devel] [Question] Ok to switch to conda-forge for RDKit builds?
Greg Landrum
[Rdkit-devel] Beta of the 2018.09 release available
Greg Landrum
[Rdkit-devel] The RDKit Travis builds
Greg Landrum
Re: [Rdkit-devel] The RDKit Travis builds
Greg Landrum
[Rdkit-devel] Failing tests in Visual Studio build
Juuso Lehtivarjo
Re: [Rdkit-devel] Failing tests in Visual Studio build
Greg Landrum
[Rdkit-devel] bivariate_normal deprecation
Kiran Telukunta
Re: [Rdkit-devel] bivariate_normal deprecation
Greg Landrum
Re: [Rdkit-devel] bivariate_normal deprecation
Kiran Telukunta
Re: [Rdkit-devel] bivariate_normal deprecation
Greg Landrum
[Rdkit-devel] RDKit 2018.03.1 Build and Installation
alb greg
Re: [Rdkit-devel] RDKit 2018.03.1 Build and Installation
Andrew Dalke
Re: [Rdkit-devel] RDKit 2018.03.1 Build and Installation
Greg Landrum
Re: [Rdkit-devel] RDKit 2018.03.1 Build and Installation
alb greg
Re: [Rdkit-devel] RDKit 2018.03.1 Build and Installation
Greg Landrum
Re: [Rdkit-devel] RDKit 2018.03.1 Build and Installation
alb greg
Re: [Rdkit-devel] RDKit 2018.03.1 Build and Installation
Greg Landrum
Re: [Rdkit-devel] RDKit 2018.03.1 Build and Installation
Greg Landrum
Re: [Rdkit-devel] RDKit 2018.03.1 Build and Installation
alb greg
Re: [Rdkit-devel] RDKit 2018.03.1 Build and Installation
Greg Landrum
Re: [Rdkit-devel] RDKit 2018.03.1 Build and Installation
alb greg
Re: [Rdkit-devel] RDKit 2018.03.1 Build and Installation
alb greg
Re: [Rdkit-devel] RDKit 2018.03.1 Build and Installation
Greg Landrum
[Rdkit-devel] Apologies for the delays processing pull requests
Greg Landrum
[Rdkit-devel] 2018.03.1 RDKit release
Greg Landrum
[Rdkit-devel] The 2018.03 release, python 2.7, and Windows
Greg Landrum
[Rdkit-devel] [Announcement] 7th RDKit UGM in Cambridge UK
Greg Landrum
Re: [Rdkit-devel] [Rdkit-discuss] [Announcement] 7th RDKit UGM in Cambridge UK
Greg Landrum
[Rdkit-devel] Beta of the 2018.03 release available
Greg Landrum
[Rdkit-devel] Where's the 2018.03 release?
Greg Landrum
Re: [Rdkit-devel] Where's the 2018.03 release?
Maciek Wójcikowski
Re: [Rdkit-devel] Where's the 2018.03 release?
Greg Landrum
[Rdkit-devel] Some larger-scale RDKit C++ code changes
Greg Landrum
Re: [Rdkit-devel] [Rdkit-discuss] Some larger-scale RDKit C++ code changes
Greg Landrum
Re: [Rdkit-devel] [Rdkit-discuss] Some larger-scale RDKit C++ code changes
Greg Landrum
Re: [Rdkit-devel] [Rdkit-discuss] Some larger-scale RDKit C++ code changes
Greg Landrum
[Rdkit-devel] problem building rdkit
TJ O'Donnell
Re: [Rdkit-devel] problem building rdkit
Greg Landrum
Re: [Rdkit-devel] problem building rdkit
TJ O'Donnell
Re: [Rdkit-devel] problem building rdkit
TJ O'Donnell
Re: [Rdkit-devel] problem building rdkit
Greg Landrum
Re: [Rdkit-devel] problem building rdkit
TJ O'Donnell
Re: [Rdkit-devel] problem building rdkit
Greg Landrum
Re: [Rdkit-devel] problem building rdkit
TJ O'Donnell
Re: [Rdkit-devel] problem building rdkit
TJ O'Donnell
[Rdkit-devel] Two 'Labute' descriptors seem to be always returning 0.0
jeff godden
Re: [Rdkit-devel] Two 'Labute' descriptors seem to be always returning 0.0
Greg Landrum
[Rdkit-devel] 2017.09.1 RDKit release
Greg Landrum
[Rdkit-devel] Beta of the 2017.09 release available
Greg Landrum
[Rdkit-devel] drawing amino acids
Igor Filippov
Re: [Rdkit-devel] drawing amino acids
Greg Landrum
Re: [Rdkit-devel] drawing amino acids
Igor Filippov
Re: [Rdkit-devel] drawing amino acids
Greg Landrum
Re: [Rdkit-devel] drawing amino acids
Igor Filippov
Re: [Rdkit-devel] drawing amino acids
Igor Filippov
[Rdkit-devel] MolDraw2Dwx
Igor Filippov
[Rdkit-devel] Adding RDKit::ROMol *s to a boost::python::list
Paul Emsley
Re: [Rdkit-devel] Adding RDKit::ROMol *s to a boost::python::list
Greg Landrum
Re: [Rdkit-devel] Adding RDKit::ROMol *s to a boost::python::list
Paul Emsley
Re: [Rdkit-devel] Adding RDKit::ROMol *s to a boost::python::list
Paul Emsley
Re: [Rdkit-devel] Adding RDKit::ROMol *s to a boost::python::list
Paul Emsley
[Rdkit-devel] travis build timeouts
Greg Landrum
Re: [Rdkit-devel] travis build timeouts
Brian Kelley
Re: [Rdkit-devel] travis build timeouts
Greg Landrum
Re: [Rdkit-devel] travis build timeouts
Brian Kelley
Re: [Rdkit-devel] travis build timeouts
Greg Landrum
Re: [Rdkit-devel] travis build timeouts
Brian Kelley
[Rdkit-devel] Arch dependent test failures
Gianluca Sforna
Re: [Rdkit-devel] Arch dependent test failures
Gianluca Sforna
[Rdkit-devel] GSoC project introduction - C.C. web repository
Nitish Garg
Re: [Rdkit-devel] GSoC project introduction - C.C. web repository
Brian Kelley
[Rdkit-devel] The RDKit and modern C++ (finally)
Greg Landrum
[Rdkit-devel] 2017.03 (Q1 2017) RDKit Release
Greg Landrum
Re: [Rdkit-devel] 2017.03 (Q1 2017) RDKit Release
Maciek Wójcikowski
Re: [Rdkit-devel] 2017.03 (Q1 2017) RDKit Release
Greg Landrum
Re: [Rdkit-devel] 2017.03 (Q1 2017) RDKit Release
Greg Landrum
[Rdkit-devel] Beta of Q1 2017 release now up
Greg Landrum
[Rdkit-devel] RDKit installation
Gayathree Kaluarachchi
Re: [Rdkit-devel] RDKit installation
Greg Landrum
Re: [Rdkit-devel] Rdkit and ipywidget installation
Greg Landrum
[Rdkit-devel] InChI 1.05
Igor Filippov
Re: [Rdkit-devel] InChI 1.05
Gianluca Sforna
Re: [Rdkit-devel] InChI 1.05
Igor Filippov
Re: [Rdkit-devel] InChI 1.05
Greg Landrum
Re: [Rdkit-devel] InChI 1.05
Igor Filippov
Re: [Rdkit-devel] InChI 1.05
Greg Landrum
Re: [Rdkit-devel] InChI 1.05
Igor Filippov
[Rdkit-devel] RDKit Python wrappers
David Cosgrove
Re: [Rdkit-devel] RDKit Python wrappers
Brian Kelley
Re: [Rdkit-devel] RDKit Python wrappers
Gianluca Sforna
Re: [Rdkit-devel] RDKit Python wrappers
Maciek Wójcikowski
Re: [Rdkit-devel] RDKit Python wrappers
David Cosgrove
Re: [Rdkit-devel] RDKit Python wrappers
Greg Landrum
Re: [Rdkit-devel] RDKit Python wrappers
Greg Landrum
[Rdkit-devel] 2016.09 (Q3 2016) RDKit Release
Greg Landrum
Re: [Rdkit-devel] 2016.09 (Q3 2016) RDKit Release
Andrew Dalke
Re: [Rdkit-devel] GenerateDepictionMatching3DStructure
Greg Landrum
Re: [Rdkit-devel] GenerateDepictionMatching3DStructure
Brian Kelley
[Rdkit-devel] Boost and cmake version survey
Greg Landrum
Re: [Rdkit-devel] Boost and cmake version survey
Gianluca Sforna
Re: [Rdkit-devel] Boost and cmake version survey
Greg Landrum
Re: [Rdkit-devel] Boost and cmake version survey
David Hall
Re: [Rdkit-devel] Boost and cmake version survey
Gianluca Sforna
[Rdkit-devel] Beta of Q3 2016 release now up
Greg Landrum
[Rdkit-devel] Failing test 103 on cutting edge Fedora
Gianluca Sforna
Re: [Rdkit-devel] Failing test 103 on cutting edge Fedora
Greg Landrum
Re: [Rdkit-devel] Failing test 103 on cutting edge Fedora
Gianluca Sforna
Re: [Rdkit-devel] Failing test 103 on cutting edge Fedora
Greg Landrum
[Rdkit-devel] Fwd: RDkit Ruby binding /gem
Yannick .Djoumbou
[Rdkit-devel] Returning fragments of a compound as SMARTS patterns - Finding fragments/patlerns distinguishing two sets of compounds
Yannick .Djoumbou
[Rdkit-devel] Undefined symbol error
Waldron, Michael H
Re: [Rdkit-devel] Undefined symbol error
Riccardo Vianello
Re: [Rdkit-devel] Undefined symbol error
Waldron, Michael H
[Rdkit-devel] 2016.03 (Q1 2016) RDKit Release
Greg Landrum
[Rdkit-devel] More build fun with RHEL 6
Gianluca Sforna
Re: [Rdkit-devel] More build fun with RHEL 6
Greg Landrum
Re: [Rdkit-devel] More build fun with RHEL 6
Gianluca Sforna
Re: [Rdkit-devel] More build fun with RHEL 6
Gianluca Sforna
Re: [Rdkit-devel] More build fun with RHEL 6
Greg Landrum
Re: [Rdkit-devel] More build fun with RHEL 6
Brian Kelley
Re: [Rdkit-devel] More build fun with RHEL 6
Greg Landrum
Re: [Rdkit-devel] More build fun with RHEL 6
Brian Kelley
Re: [Rdkit-devel] More build fun with RHEL 6
Greg Landrum
Re: [Rdkit-devel] More build fun with RHEL 6
Greg Landrum
Re: [Rdkit-devel] More build fun with RHEL 6
Greg Landrum
Re: [Rdkit-devel] More build fun with RHEL 6
Riccardo Vianello
Re: [Rdkit-devel] More build fun with RHEL 6
Gianluca Sforna
Re: [Rdkit-devel] More build fun with RHEL 6
Gianluca Sforna
Re: [Rdkit-devel] More build fun with RHEL 6
Gianluca Sforna
Re: [Rdkit-devel] More build fun with RHEL 6
Greg Landrum
Re: [Rdkit-devel] More build fun with RHEL 6
Gianluca Sforna
Re: [Rdkit-devel] More build fun with RHEL 6
Greg Landrum
Re: [Rdkit-devel] More build fun with RHEL 6
Gianluca Sforna
Re: [Rdkit-devel] More build fun with RHEL 6
Greg Landrum
[Rdkit-devel] Beta of Q1 2016 release now up
Greg Landrum
Re: [Rdkit-devel] Beta of Q1 2016 release now up
Gianluca Sforna
Re: [Rdkit-devel] Beta of Q1 2016 release now up
Greg Landrum
Re: [Rdkit-devel] Beta of Q1 2016 release now up
Gianluca Sforna
Re: [Rdkit-devel] Beta of Q1 2016 release now up
Gianluca Sforna
Re: [Rdkit-devel] Beta of Q1 2016 release now up
Greg Landrum
Re: [Rdkit-devel] Beta of Q1 2016 release now up
Gianluca Sforna
Re: [Rdkit-devel] Beta of Q1 2016 release now up
Greg Landrum
Re: [Rdkit-devel] Beta of Q1 2016 release now up
Gianluca Sforna
Re: [Rdkit-devel] Beta of Q1 2016 release now up
Greg Landrum
[Rdkit-devel] Pharm2D -- 4-point pharmacophores
Ondrej Micka
Re: [Rdkit-devel] Pharm2D -- 4-point pharmacophores
Greg Landrum
Re: [Rdkit-devel] Pharm2D -- 4-point pharmacophores
Ondrej Micka
[Rdkit-devel] RDKit binaries available for Win32 .Net?
Tom Hagadone
Re: [Rdkit-devel] RDKit binaries available for Win32 .Net?
Greg Landrum
[Rdkit-devel] failing with rdkit.Chem.PyMol.MolViewer()
Zhenquan Hu
Re: [Rdkit-devel] failing with rdkit.Chem.PyMol.MolViewer()
Greg Landrum
[Rdkit-devel] last test failing with python3
Gianluca Sforna
Re: [Rdkit-devel] last test failing with python3
Greg Landrum
Re: [Rdkit-devel] last test failing with python3
Gianluca Sforna
Earlier messages