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DBMolecules deprecation

bugSomething isn't workingSomething isn't working

Status: Open.

#521 In OpenBioSim/biosimspace;

· lohedges opened on Jun 16, 2026

[BUG] Process isinstance check can fail in trajectory code during lazy import

bugSomething isn't workingSomething isn't working

Status: Open.

#499 In OpenBioSim/biosimspace;

· lohedges opened on Jan 29, 2026

[BUG] Lazy import can break NAGL detection

bugSomething isn't workingSomething isn't working

Status: Open.

#487 In OpenBioSim/biosimspace;

· lohedges opened on Dec 4, 2025

Support Membrane Protein pre-equilibration in Biosimspace via Gromacs

Status: Open.

#405 In OpenBioSim/biosimspace;

· Roy-Haolin-Du opened on Jun 12, 2025

Cookbook

Status: Open.

Feature

#386 In OpenBioSim/biosimspace;

· jmichel80 opened on Feb 4, 2025

Convergence issue with pymbar 4

Status: Open.

#380 In OpenBioSim/biosimspace;

· lohedges opened on Jan 10, 2025

[BUG?] Incompatible AMBER atom names for protein cap residues

bugSomething isn't workingSomething isn't working

Status: Open.

#365 In OpenBioSim/biosimspace;

· jmichel80 opened on Nov 1, 2024

What about ff99-disp

Status: Open.

#346 In OpenBioSim/biosimspace;

· bcossins opened on Sep 29, 2024

Support for openff-bespokefit

enhancementNew feature or requestNew feature or request

Status: Open.

#262 In OpenBioSim/biosimspace;

· jmichel80 opened on Mar 13, 2024

Matching atoms and merging ring systems (fused rings, different hybridisation states) - issues

enhancementNew feature or requestNew feature or request

Status: Open.

#103 In OpenBioSim/biosimspace;

· annamherz opened on Jun 15, 2023

Faster MCS Calculation

enhancementNew feature or requestNew feature or request

Status: Open.

#6 In OpenBioSim/biosimspace;

· kexul opened on Feb 14, 2023