posebusters
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maabuu
Plausibility checks for generated molecule poses.
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* Adds a timeout decorator to the `_rmsd` function to prevent occasional process deadlocks. * The timeout is set to 30 seconds by default.
Hi there! I found a small bug that causes the `PoseBusters.bust` function to break; I think its an edge case that occurs if you have odd (e.g., de novo designed)...