/tools/smi2sdf3d
smi2sdf3d
UnixJunkie/smi2sdf3d
23 stars12 forksPythonAdded February 4, 2026
summary
The smi2sdf3d repository provides a method for generating diverse 3D conformers of molecules using the RDKit library. This tool is useful for researchers in computational chemistry and drug discovery, facilitating the exploration of molecular conformations.
description
3D diverse conformers generation using rdkit
topics
rdkitpython-scriptconformerligandchemoinformatics3dsmilessdfsmi
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