- 2026-09-02: Fixed identical seed per sampling_factor replica in flexref, mdref and emref - Issue #1685
- 2026-08-05: Harmonised running mode of test config files - Issue #1655
- 2026-08-10: Added missing improper for HYP - Issue #1662
- 2026-08-05: Removed identical duplicate
ANGLestatements fromprotein-allhdg5-4.paramandprotein-CG-Martini-2-2.param- Issue #1589 - 2026-08-04: Added workflow module ordering validation - related to Issue #1530
- 2026-08-02: Fixed logging/warning leaks - Issue #1647
- 2026-07-31: Fixed D-amino acid detection - Issue #1636
- 2026-07-31: Fixed topocg issue removing ligands - Issue #1638
- 2026-07-27: Added
rnascanmodule for mutagenesis scanning of RNA bases (mutating interface nucleotides to A, C, G, U) - Issue #1631 - 2026-07-22: Added protein-DNA docking Jupyter notebook
- 2026-07-21: Fixed
gen_archive=truecrash (Directory not empty) on non-local filesystems (NFS, gcsfuse/s3fs, overlayfs) - Issue #1626 - 2026-07-13: Added option to select models/clusters in reverse order - Issue #1620
- 2026-07-10: Corrected ranking in caprieval for reverse sorting - Issue #1621
- 2026-07-09: Added
deeprankscoring module using deeprank-gnn-esm - Issue #569 - 2026-07-07: Re-add
gdockas a sampling module - 2026-07-02: Added support 1-O-methyl-2-N-Acetyl-alpha-D-galactopyranose (NGM) - Issue #1608
- 2026-07-01: Removed unused guard for “previous module produced iterable” - Issue #1604
- 2026-06-30: Added caprifilter module, moved shared capri calculation to libcapri - Issue #1550
- 2026-06-29: Added support 1-O-methyl-2-N-Acetyl-alpha-D-glucopyranose (NAA) - Issue #1593
- 2026-06-29: Fixed the cgtoaa reading to cg-to-aa restraints - Issue #1592
- 2026-06-26: Corrected net charge for O1-methylated NAM - Issue #1586
- 2026-06-18: Added support for O1-methylated NAG - Issue #1579
- 2026-06-18: Added support for O-glycosylated serine - Issue #1577
- 2026-06-14: Dropped support for Python 3.9, minimum required version is now 3.10
- 2026-06-11: Cosmetic fix in support of custom symmetry restraints - Issue #1563
- 2026-06-07: Avoid potential double cyclic bonds in ACE-CYS cyclisation - Issue #1564
- 2026-06-04: Added support for glucosamine (GCS) - Issue $1559
- 2026-05-02: Fixed autoflex issue with solvent - Issue #1551
- 2026-05-01: Allows for CG-based scoring workflows - Issues #1546, #1547, #1548
- 2026-04-30: Fixes ligand ensemble topo/param files - Issue #1540
- 2026-04-24: Exposing distance cutoff for ACE-CYS cyclisation - Issue #1535
- 2026-04-23: Merging the coarse-graining branch into the main branch.
- 2026-04-13: Fixed issue with shape in cgtoa module and added shape docking example
- 2026-04-16: Added control of hydrogen building in topoaa - Issue #1522
- 2026-04-15: Implemented separate control of separation and randome rotations of molecules - Issue #1491
- 2026-04-15: Solve bug related to workflow restarting without analysis folder - Issue #1518
- 2026-04-14: Increase max number of timesteps in openmm module - BioExcel forum 6072
- 2026-04-12: Add possibility to run MD (mdref, mdscoring) without solvent - Issue #1512
- 2026-04-10: Corrected the definition of ion restraints in flexref - Issue #1510
- 2026-04-10: Removing analysis modules downstream when restarting - Issue #1495
- 2026-04-08: Improved docstring in modules
- 2026-04-08: Increased NOE restraints array size in scoring modules - Issue #1501
- 2026-03-30: Added nucleosome-PCR1 CG docking example
- 2026-03-09: Automated type casting for optional argument seed in haddock3-restraints random_removal - Issue #1485
- 2026-02-28: Switched to ilRMSD clustering from protein-ligand examples - Issue #1481
- 2026-02-24: Implement automated toppar generation for unknown atoms with PRODRG
- 2026-02-20: Add fallback routine to use
Schedulerif the GRID is not available - 2025-12-19: Implemented support for custom symmetry restaints - Issue #1465
- 2025-12-15: Added missing NGA glycan parameters - Issue #1462
- 2025-11-25: Simplify the use of multiple ambig archives
- 2025-11-19: Corrected CNS verbosity settings - Issue #1446
- 2025-11-19: Added zinc-finger docking example, related to Issue #1445
- 2025-11-19: Corrected flexref module for Issue #1445
- 2025-11-17: Added possibility to use alascan with ligands - Issue #1411
- 2025-10-22: Allow the definition of chain combinations to be used for scoring - Issue #1414
- 2025-09-11: Added
gridmode - 2025-09-11: Corrected antibody-antigen notebook - Issue #1383
- 2025-09-09: Removes undesired directory created when running the uni-tests - Issue #1380
- 2025-09-09: Added notebooks with tutorials - Issue #1367
- 2025-09-05: Consistancy in cluster naming in contactmap module - Issue #1359
- 2025-09-03: Added support for THR-glycosylation - Issue #1371
- 2025-08-25: Distribute the
haddock-restraintsbinary - 2025-08-22: Added check for max/min possible coordinates in CNS scripts - Issue #1350
- 2025-08-17: Combined bumps of packages version (coverage, hypothesis, pytest-random-order and kaleido)
- 2025-08-06: Adding guardrail in rigidbody module when no restraints provided - Issue #1345
- 2025-08-08: Allow to generate cluster with clustfcc when only one model provided - Issue #1327
- 2025-08-01: Fix alascan bug when no contact found - Issue #1343
- 2025-08-01: Increasing parallelism in alascan module - Issue #1333
- 2025-07-30: Added per-residue parallelization in alascan module - Issue #1307
- 2025-07-24: Added computation of standard deviation in alascan cluster analyses - Issue #1332
- 2025-07-23: Added printing of covalent energies to the PDB headers - Issue #1323
- 2025-06-12: Added new restrain_ligand sub-command in the haddock3-restraints CLI - Issue #1299
- 2025-06-06: Added selection of Nter, Cter and 5'end states at topology generation - Issue #1269
- 2025-06-05: Added support for pyroglutamic acid (PCA) - Issue #1228
- 2025-05-XX: Added new random_removal sub-command in the haddock3-restraints CLI - Issue #1240