This category contains 5 nodes.
Creates a new table with multiple conformers per input molecule.
Generates coordinates (2D or 3D) for an input RDKit Mol column
Aligns the 3D model of two structures based on their shape and three-dimensional conformation.
Optimizes the geometry for an input RDKit Mol column and calculates the molecule's energy in kcal/mol.
Calculates the best RMSD value for different conformers of the same RDKit molecules and filters them based on a threshold value.
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