Skip to content

Pull requests: cctbx/cctbx_project

New pull request New
37 Open 688 Closed
37 Open 688 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Reviews
Filter by reviews
No reviews Review required Approved review Changes requested
Assignee
Filter by who’s assigned
Assigned to nobody Loading
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

Use default RHF for closed-shell singlets in MOPAC input
#1205 opened Jul 15, 2026 by krlun Contributor Loading…
cctbx.xfel.merge export batch MTZ for careless
#1195 opened Jul 1, 2026 by nksauter Contributor Loading…
1
Find best cell performance
#1187 opened Jun 24, 2026 by dwmoreau Contributor • Draft
5
Fix reduce2 to emit PDB v3 atom names for RNA/DNA hydrogens
#1176 opened Jun 10, 2026 by vbchen Contributor Loading…
3
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
[fix] Avoid division of F_obs by k_total (multiply F_calc/F_mask instead)
#691 opened Dec 1, 2021 by sizmailov Loading…
1
Fix kokkos makefile parser
#675 opened Oct 17, 2021 by JBlaschke Contributor Loading…
ProTip! Find all pull requests that aren't related to any open issues with -linked:issue.