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Description
The line:
edge_types[edge_types == 4] = 1.5
fails because edge_types is a long tensor, truncating 1.5 to 1. This replaces 4 with 1 instead of 1.5, affecting logic and results.
Impact: This propagates incorrect values, impacting downstream research like molecule and atom stabilities in works such as EQGAT-Diff and Semla-Flow.
Suggested Fix:
Convert edge_types to a floating-point tensor before replacement:
edge_types
edge_types = edge_types.float() edge_types[edge_types == 4] = 1.5
MiDi/midi/metrics/molecular_metrics.py
Line 304 in 775b731
The text was updated successfully, but these errors were encountered:
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Description
The line:
fails because edge_types is a long tensor, truncating 1.5 to 1. This replaces 4 with 1 instead of 1.5, affecting logic and results.
Impact:
This propagates incorrect values, impacting downstream research like molecule and atom stabilities in works such as EQGAT-Diff and Semla-Flow.
Suggested Fix:
Convert
edge_typesto a floating-point tensor before replacement:MiDi/midi/metrics/molecular_metrics.py
Line 304 in 775b731
The text was updated successfully, but these errors were encountered: