CogniChem Application

Generate an RDKit 3D conformer ensemble per molecule.

0 molecules ready

Resource

Estimated minimum cost: $—

RDKit ETKDGv3 embedding with MMFF94 (or UFF fallback). Set RMSD prune or energy window to 0 to disable that filter.

Input format

Conformers

1–200 per molecule

RMSD prune (Å)

0 disables pruning

Energy window (kcal/mol)

0 disables the window

Force field

Random seed

Add hydrogens

Paste molecules or upload a file matching the selected input format. SMILES is one per line; SDF and mol blocks split on $$$$.