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Pull requests: haddocking/haddock3

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Pull requests list

Add possibility to run mdref and mdscoring without solvent
#1513 opened Apr 12, 2026 by VGPReys Contributor Loading…
3 of 6 tasks
Corrected automatic ion restraining in flexref - solves issue #1510 bug Something isn't working m|flexref flexref module
#1511 opened Apr 10, 2026 by amjjbonvin Member Loading…
3 of 6 tasks
@amjjbonvin
1
fix input/toppar pairing in .inp files for when autoppar=true
#1508 opened Apr 9, 2026 by rvhonorato Member • Draft
6 tasks
1
add deeprank module m|deeprank deeprank module
#1480 opened Feb 26, 2026 by rvhonorato Member • Draft
6 tasks
1
@ntxxt
4
Add option for a custom alignment file in caprieval
#1418 opened Oct 14, 2025 by AnnaKravchenko Contributor • Draft
3 of 5 tasks
@AnnaKravchenko
9
Refactor workflow initialization to remove hard dependency on topoaa enhancement Improving something in the codebase workflow All the general parts of HADDOCK3 not related to any module in particular
#921 opened Jul 3, 2024 by VGPReys Contributor • Draft
7 of 13 tasks
1
@VGPReys
43
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