Add community task: test2

by InkedWings - opened 13 days ago

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This PR is in draft mode

Autonomous Scientific Agents org 13 days ago

Submitter: Alan (ANL)
Category: optimization_from_smiles
Tools: MACE, NWChem, RDKit

This is a test submission for checking PR comments.

Provide the SMILES string corresponding to this molecule: sulfur dioxide

Full task bundle (ground truth, solve.py, solve.sh, task.toml) is in the files of this PR.

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