Retain ROCS scores after temporary cleanup errors - #11
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Allow RDKit and CDPKit scorer temporary directories to tolerate network-filesystem cleanup failures that occur after scoring has completed.
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What changed
Root cause
On networked scratch filesystems, a lingering reader handle can make temporary-directory deletion fail after scoring has completed. Propagating that cleanup exception discards valid score arrays even though the scientific computation succeeded.
Compatibility
Scoring, conformer generation, and returned values are unchanged. Only cleanup failures are suppressed; the operating system or job scratch policy can reap the remaining temporary path.
Validation