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molssi-seamm / packmol_step Public

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Switching to RDKit for SMILES since OpenBabel has some issues and is … #39

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Switching to RDKit for SMILES since OpenBabel has some issues and is …

Switching to RDKit for SMILES since OpenBabel has some issues and is … #39

Summary
Jobs
- Lint & Docs ubuntu-latest Py3.11
Run details
- Usage
- Workflow file

Usage Workflow file

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1 error

Process completed with exit code 1.

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