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Parallelize computations in [alascan]

enhancementImproving something in the codebaseImproving something in the codebase

Status: Open.

#1307 In haddocking/haddock3;

· AnnaKravchenko opened on Jun 19, 2025

The difference between the execution results of Hadoop 3 and Hadoop 2.4 is too significant

communityFeature requests / contribution / issues from usersFeature requests / contribution / issues from users

questionFurther information is requestedFurther information is requested

Status: Open.

#1293 In haddocking/haddock3;

· 187357181 opened on Jun 6, 2025

MPI support as separate installation option

dependenciesPull requests that update a dependency filePull requests that update a dependency file

enhancementImproving something in the codebaseImproving something in the codebase

Status: Open.

Feature

#1283 In haddocking/haddock3;

· amjjbonvin opened on May 29, 2025

Haddock3 did not generate a complex pdb file by docking two pdb files

communityFeature requests / contribution / issues from usersFeature requests / contribution / issues from users

questionFurther information is requestedFurther information is requested

Status: Open.

#1282 In haddocking/haddock3;

· 187357181 opened on May 29, 2025

SegFault at rigidbody step in CNS

bugSomething isn't workingSomething isn't working

communityFeature requests / contribution / issues from usersFeature requests / contribution / issues from users

Status: Open.

#1281 In haddocking/haddock3;

· jacknicoludis opened on May 29, 2025

Allow references containing HETATM in <code>caprieval</code>

enhancementImproving something in the codebaseImproving something in the codebase

m|caprievalImprovements in caprieval moduleImprovements in caprieval module

Status: Open.

Feature

#1271 In haddocking/haddock3;

· VGPReys opened on May 20, 2025

glibc specific CNS version

CNSImprovements in the CNS engineImprovements in the CNS engine

enhancementImproving something in the codebaseImproving something in the codebase

Status: Open.

#1268 In haddocking/haddock3;

· VGPReys opened on May 12, 2025

[attract] as a sampling module

featureAdding something new to the codebaseAdding something new to the codebase

m|attract

Status: Open.

#1027 In haddocking/haddock3;

· AnnaKravchenko opened on Sep 16, 2024

Add modules that could add/delete molecules within a workflow

featureAdding something new to the codebaseAdding something new to the codebase

workflowAll the general parts of HADDOCK3 not related to any module in particularAll the general parts of HADDOCK3 not related to any module in particular

Status: Open.

#992 In haddocking/haddock3;

· amjjbonvin opened on Sep 2, 2024

haddock3 workflow without starting with <code>topoaa</code>

executionRelated to execution modes, such as GRID, HPC, local, etc.Related to execution modes, such as GRID, HPC, local, etc.

Status: Open.

#932 In haddocking/haddock3;

· VGPReys opened on Jul 10, 2024

develop a deeprank analysis module

featureAdding something new to the codebaseAdding something new to the codebase

m|deeprankdeeprank moduledeeprank module

Status: Open.

#569 In haddocking/haddock3;

· mgiulini opened on Nov 10, 2022

Add a <code>saxsscore</code> module.

featureAdding something new to the codebaseAdding something new to the codebase

m|saxsscore

Status: Open.

#433 In haddocking/haddock3;

· rvhonorato opened on May 16, 2022