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Inquiries regarding Auto3D conformer sampling behavior for Host-Guest complexes (SDF vs SMILES inputs)

Status: Open.

#111 In isayevlab/Auto3D_pkg;

· shaldar-0999 opened on Jul 10, 2026

v3.0 not available through conda

Status: Open.

#91 In isayevlab/Auto3D_pkg;

· ehantz-reneu opened on Feb 13, 2026

Optimization engine did not run and no 3D structure converged.

Status: Open.

#72 In isayevlab/Auto3D_pkg;

· shalemeghana opened on Feb 23, 2024

Protonation states and SMD solvent inclusion

enhancementNew feature or requestNew feature or request

Status: Open.

#36 In isayevlab/Auto3D_pkg;

· mmagithub opened on Mar 16, 2023