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Pull requests list

Match Niggli iteration-limit exception message
#1184 opened Jun 18, 2026 by dwmoreau Contributor • Draft
2
Refactor mmtbx/kinemage/validation.py: fix bugs, dead code, consolidate entry points, probe2 dots
#1180 opened Jun 17, 2026 by vbchen Contributor Loading…
6
Add GFN-xTB QM engine (xtb_manager) to the quantum-restraints pipeline
#1179 opened Jun 15, 2026 by krlun Contributor Loading…
4
Speed up clashscore2: make redundant 2nd probe2 run optional (~2x)
#1178 opened Jun 15, 2026 by vbchen Contributor Loading…
2
Fix reduce2 to emit PDB v3 atom names for RNA/DNA hydrogens
#1176 opened Jun 10, 2026 by vbchen Contributor Loading…
3
scitbx: fix flex.*_from_byte_str truncation of non-ASCII Unicode input
#1169 opened Jun 6, 2026 by bkpoon Member • Draft
2
detector_residuals: resolve per-frame XFELBeam for composite stills
#1164 opened May 26, 2026 by dwmoreau Contributor • Draft
pcxod changes
#1163 opened May 19, 2026 by bkpoon Member • Draft
start of ION select (and other new selections)
#1159 opened May 11, 2026 by nwmoriarty Contributor Loading…
@olegsobolev
2
Register Boost.Python converters for NumPy 2.0 scalar types
#1131 opened Feb 18, 2026 by dwpaley Contributor Loading…
1
7
Complete migration of PRIME to cctbx-xfel
#1105 opened Oct 17, 2025 by dwpaley Contributor Loading…
Rename cctbx.xfel.stripe_experiment to cctbx.xfel.time_varying_refinement
#1048 opened Feb 27, 2025 by phyy-nx Contributor Loading…
WIP: integrate SFAPI into cctbx.xfel GUI
#1027 opened Oct 28, 2024 by JBlaschke Contributor • Draft
Replace (unmaintained) orderedset with ordered_set
#1020 opened Sep 27, 2024 by rolandmas Loading…
2
Gauss star gonio
#985 opened Apr 21, 2024 by dermen Contributor Loading…
10
Memory policy
#983 opened Apr 9, 2024 by nksauter Contributor • Draft
3
DLpack interface for Kokkos to pytorch
#975 opened Mar 20, 2024 by Trzs Contributor • Draft
NXmx writer in simtbx
#916 opened Aug 15, 2023 by phyy-nx Contributor Loading…
minor updates for kokkos in diffBragg
#885 opened Jun 2, 2023 by dermen Contributor Loading…
diffBragg hardening
#857 opened Mar 15, 2023 by irisdyoung Contributor Loading…
@irisdyoung
6
Xfel striping fix
#844 opened Jan 28, 2023 by Baharis Contributor Loading…
@Baharis
2
change all np.float to float, np.bool to bool
#842 opened Jan 27, 2023 by dwpaley Contributor Loading…
bootstrap.py: add XFEL-specific defaults
#807 opened Oct 20, 2022 by dwpaley Contributor Loading…
[fix] Update k_isotropic after linear interpolation
#693 opened Dec 1, 2021 by sizmailov Loading…
1
Fix bulk_solvent::k_mask_and_k_overall_grid_search
#692 opened Dec 1, 2021 by sizmailov Loading…
1
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