Greg Landrum a5bcf726e1 allow custom shape points (#8799) ...

* support providing custom features

* expose that to python

* switch to tuples (on get) and objects (on set) for attributes

* allow aligning mols directly with ShapeInputOptions

* changes for review

* add warning

2025-09-23 18:56:03 +02:00

..

AvalonTools

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

ChemDraw

Expose CDX support to FileParsers and ChemDraw to SWIG (#8681)

2025-08-29 04:39:22 +02:00

CoordGen

bump maeparser to 1.3.3 (#8580)

2025-06-12 05:02:36 +02:00

Eigen

Set default Eigen3 version to 3.4.0 (#8477)

2025-05-05 09:00:20 +02:00

FreeSASA

Make sure that FreeSASA can be built as DLL on Windows (#7985)

2024-11-20 16:17:11 +01:00

GA

Suppress large amounts of 'BOOST_NO_CXX98_FUNCTION_BASE macro redefined' warnings in clang/emcc builds (#7747)

2025-03-29 20:04:58 +01:00

INCHI-API

RDKit's InChi build tries to guess whether the C compiler provides (#8764)

2025-09-12 17:15:19 +02:00

pubchem_shape

allow custom shape points (#8799)

2025-09-23 18:56:03 +02:00

pymol/modules/pymol

Reformat Python code for 2023.03 release (#6294)

2023-04-28 06:53:56 +02:00

RingFamilies

Run clang-format across everything (#7849)

2024-09-26 13:39:02 +02:00

YAeHMOP

switch to C++20 (#8039)

2025-04-09 11:57:17 +02:00

CMakeLists.txt

ChemDraw Document and read/write support for the RDKit (#8620)

2025-07-04 06:36:10 +02:00