4 Commits

Author	SHA1	Message	Date
Greg Landrum	1b6b126d55	Fixes #7364 (#7657)	2024-07-24 12:51:57 -04:00
Brian Kelley	c039400044	Fixes #6592 (#6593)	2023-08-19 08:20:06 +02:00
Eisuke Kawashima	11532089de	Run clang-format against cpp (#4358)	2021-10-20 04:25:27 +02:00
Brian Kelley	96353c3a8b	Add BCUT 2D descriptors (#2957) ... * [WIP] Add BCUT 2D descriptors * Use the standard RDKit license * Add Check for EIGEN3 * Add vector param, fix some formatting, remove debug print * Add make_burden function, optimize symmetric eigenvalues * Add some tests, finalize API * Make the python API return tuples * Updates docs * Remove unused variable * Fixed up C++ tests * Remove std::pair wrapper, don't build BCUT when missing EIGEN * Add bigger test case for BCUTs * Accidentally removed the wrong code	2020-02-23 16:09:36 +01:00