epam / epam/Indigo

Monomer groups with explicit connections support in Indigo model and KET-format

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epic: macromolecules
Dominant language
C++
Stars
406
Forks
134
Avg merge
2d 11h
Merged PRs (30d)
24

Description

**Background**
Indigo macromolecules support in scope of HELM 2.0

**Solution**
Modify Indigo model to support monomer groups and explicit connections (from monomer to monomer with specified attachment points). Add KET export and import.
Tests should include MOL<>KET conversions.

Contributor guide

No contributing guide indexed for this repository

Research direction

The issue names the Indigo model, KET import/export, monomer groups, and explicit connections, but no files or tests. Start by locating the model and KET format entry points, then review existing MOL↔KET conversion tests. Done means the model supports the requested connections and MOL↔KET conversions are covered by tests.

Written by the indexing model from the issue text.

Assessment

Tech stack
cpp
Domain
tooling
Issue type
Feature
Difficulty
5/5
Estimated time
Over a week
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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