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Seqera AI
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Fix test profile parameter name mismatch and enable Foldseek
This commit addresses three issues identified in the test_design_protein profile: 1. **Parameter name mismatch**: Changed to in all three test configs (test_design_protein, test_design_nanobody, test_design_peptide). The workflow code uses but the test configs were using the wrong parameter name, causing Boltz2 refolding to be skipped. 2. **Enable Foldseek**: Changed to in test_design_protein config to enable structural similarity search in comprehensive testing. 3. **Verified workflow logic**: Confirmed that IPSAE, PRODIGY, and Foldseek modules correctly process both Boltzgen and Boltz2-refolded structures when the parameters are properly enabled. Result: With these fixes, the test profiles will now properly: - Run Boltz2 refolding on ProteinMPNN-optimized sequences - Execute IPSAE and PRODIGY on both original and refolded structures - Perform Foldseek structural similarity searches - Generate comprehensive consolidated metrics reports Files changed: - conf/test_design_protein.config - conf/test_design_nanobody.config - conf/test_design_peptide.config
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conf/test_design_nanobody.config

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -31,7 +31,7 @@ params {
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// Enable all metrics modules for comprehensive testing
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run_proteinmpnn = true
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mpnn_num_seq_per_target = 2 // Reduced from default 8 for faster testing
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run_protenix_refold = true
34+
run_boltz2_refold = true
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run_ipsae = true
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run_prodigy = true
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run_foldseek = true

conf/test_design_peptide.config

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -31,7 +31,7 @@ params {
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// Enable all metrics modules for comprehensive testing
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run_proteinmpnn = true
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mpnn_num_seq_per_target = 2 // Reduced from default 8 for faster testing
34-
run_protenix_refold = true
34+
run_boltz2_refold = true
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run_ipsae = true
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run_prodigy = true
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run_foldseek = true

conf/test_design_protein.config

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -31,10 +31,10 @@ params {
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// Enable all metrics modules for comprehensive testing
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run_proteinmpnn = true
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mpnn_num_seq_per_target = 2 // Reduced from default 8 for faster testing
34-
run_protenix_refold = true
34+
run_boltz2_refold = true
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run_ipsae = true
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run_prodigy = true
37-
run_foldseek = false
37+
run_foldseek = true
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run_consolidation = true
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// Output

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