| Configuration: AlphaFold3 (MSA) | Protocol: ESMFold2 Runs N’ Poses reported comparison msa: Runs N’ Poses ligand pass rate (MSA) Dataset subset: Runs N’ Poses complete-case intersection: 2,573 scored ligands (ESMFold2 Runs N’ Poses reported comparison split) | 69% ligand_pass_rate percent · higher Uncertainty: Not reported Coverage: unit: ligands; scored: 2573; eligible: unreported; note: Complete-case intersection; source 2600 systems is not a ligand denominator. | Author-reported evaluation · Source checkedMethods, coverage and sourceAlphaFold3 (MSA) on ESMFold2 Runs N’ Poses reported comparison msa: Runs N’ Poses ligand pass rate (MSA) Runs N’ Poses receptor–ligand co-folding; source benchmark 2,600 systems. Figure 2C reports n=2,573 scored ligands on the intersection where all models produced valid predictions, after excluding undefined SuCOS scores. Multiple ligands in one system are scored independently. Five seeds × five diffusion samples per target; select top candidate by ipTM. Success requires lDDT-PLI >0.8 and BiSyRMSD <2 angstrom. Baselines use 10 recycles and 200 diffusion steps; ESMFold2 uses 10 or 20 loops as labelled and truncated 68-step diffusion. Single-sequence and MSA conditions remain separate. Aggregation: Not reported ESMFold2 primary paper v1, Figure 2C Runs N’ Poses · PDF page 5, Figure 2C, Runs N’ Poses subpanel (right), msa block, bar 8 from left (AlphaFold3 (MSA)), exact printed bar label |
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| Configuration: Boltz-1 (MSA) | Protocol: ESMFold2 Runs N’ Poses reported comparison msa: Runs N’ Poses ligand pass rate (MSA) Dataset subset: Runs N’ Poses complete-case intersection: 2,573 scored ligands (ESMFold2 Runs N’ Poses reported comparison split) | 60% ligand_pass_rate percent · higher Uncertainty: Not reported Coverage: unit: ligands; scored: 2573; eligible: unreported; note: Complete-case intersection; source 2600 systems is not a ligand denominator. | Author-reported evaluation · Source checkedMethods, coverage and sourceBoltz-1 (MSA) on ESMFold2 Runs N’ Poses reported comparison msa: Runs N’ Poses ligand pass rate (MSA) Runs N’ Poses receptor–ligand co-folding; source benchmark 2,600 systems. Figure 2C reports n=2,573 scored ligands on the intersection where all models produced valid predictions, after excluding undefined SuCOS scores. Multiple ligands in one system are scored independently. Five seeds × five diffusion samples per target; select top candidate by ipTM. Success requires lDDT-PLI >0.8 and BiSyRMSD <2 angstrom. Baselines use 10 recycles and 200 diffusion steps; ESMFold2 uses 10 or 20 loops as labelled and truncated 68-step diffusion. Single-sequence and MSA conditions remain separate. Aggregation: Not reported ESMFold2 primary paper v1, Figure 2C Runs N’ Poses · PDF page 5, Figure 2C, Runs N’ Poses subpanel (right), msa block, bar 7 from left (Boltz-1 (MSA)), exact printed bar label |
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| Configuration: Chai-1 (MSA) | Protocol: ESMFold2 Runs N’ Poses reported comparison msa: Runs N’ Poses ligand pass rate (MSA) Dataset subset: Runs N’ Poses complete-case intersection: 2,573 scored ligands (ESMFold2 Runs N’ Poses reported comparison split) | 59% ligand_pass_rate percent · higher Uncertainty: Not reported Coverage: unit: ligands; scored: 2573; eligible: unreported; note: Complete-case intersection; source 2600 systems is not a ligand denominator. | Author-reported evaluation · Source checkedMethods, coverage and sourceChai-1 (MSA) on ESMFold2 Runs N’ Poses reported comparison msa: Runs N’ Poses ligand pass rate (MSA) Runs N’ Poses receptor–ligand co-folding; source benchmark 2,600 systems. Figure 2C reports n=2,573 scored ligands on the intersection where all models produced valid predictions, after excluding undefined SuCOS scores. Multiple ligands in one system are scored independently. Five seeds × five diffusion samples per target; select top candidate by ipTM. Success requires lDDT-PLI >0.8 and BiSyRMSD <2 angstrom. Baselines use 10 recycles and 200 diffusion steps; ESMFold2 uses 10 or 20 loops as labelled and truncated 68-step diffusion. Single-sequence and MSA conditions remain separate. Aggregation: Not reported ESMFold2 primary paper v1, Figure 2C Runs N’ Poses · PDF page 5, Figure 2C, Runs N’ Poses subpanel (right), msa block, bar 5 from left (Chai-1 (MSA)), exact printed bar label |
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| Configuration: Chai-1 (single sequence) | Protocol: ESMFold2 Runs N’ Poses reported comparison single-sequence: Runs N’ Poses ligand pass rate (single sequence) Dataset subset: Runs N’ Poses complete-case intersection: 2,573 scored ligands (ESMFold2 Runs N’ Poses reported comparison split) | 51% ligand_pass_rate percent · higher Uncertainty: Not reported Coverage: unit: ligands; scored: 2573; eligible: unreported; note: Complete-case intersection; source 2600 systems is not a ligand denominator. | Author-reported evaluation · Source checkedMethods, coverage and sourceChai-1 (single sequence) on ESMFold2 Runs N’ Poses reported comparison single-sequence: Runs N’ Poses ligand pass rate (single sequence) Runs N’ Poses receptor–ligand co-folding; source benchmark 2,600 systems. Figure 2C reports n=2,573 scored ligands on the intersection where all models produced valid predictions, after excluding undefined SuCOS scores. Multiple ligands in one system are scored independently. Five seeds × five diffusion samples per target; select top candidate by ipTM. Success requires lDDT-PLI >0.8 and BiSyRMSD <2 angstrom. Baselines use 10 recycles and 200 diffusion steps; ESMFold2 uses 10 or 20 loops as labelled and truncated 68-step diffusion. Single-sequence and MSA conditions remain separate. Aggregation: Not reported ESMFold2 primary paper v1, Figure 2C Runs N’ Poses · PDF page 5, Figure 2C, Runs N’ Poses subpanel (right), single-sequence block, bar 1 from left (Chai-1 (single sequence)), exact printed bar label |
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| Configuration: ESMFold2-Fast (single sequence) | Protocol: ESMFold2 Runs N’ Poses reported comparison single-sequence: Runs N’ Poses ligand pass rate (single sequence) Dataset subset: Runs N’ Poses complete-case intersection: 2,573 scored ligands (ESMFold2 Runs N’ Poses reported comparison split) | 65% ligand_pass_rate percent · higher Uncertainty: Not reported Coverage: unit: ligands; scored: 2573; eligible: unreported; note: Complete-case intersection; source 2600 systems is not a ligand denominator. | Author-reported evaluation · Source checkedMethods, coverage and sourceESMFold2-Fast (single sequence) on ESMFold2 Runs N’ Poses reported comparison single-sequence: Runs N’ Poses ligand pass rate (single sequence) Runs N’ Poses receptor–ligand co-folding; source benchmark 2,600 systems. Figure 2C reports n=2,573 scored ligands on the intersection where all models produced valid predictions, after excluding undefined SuCOS scores. Multiple ligands in one system are scored independently. Five seeds × five diffusion samples per target; select top candidate by ipTM. Success requires lDDT-PLI >0.8 and BiSyRMSD <2 angstrom. Baselines use 10 recycles and 200 diffusion steps; ESMFold2 uses 10 or 20 loops as labelled and truncated 68-step diffusion. Single-sequence and MSA conditions remain separate. Aggregation: Not reported ESMFold2 primary paper v1, Figure 2C Runs N’ Poses · PDF page 5, Figure 2C, Runs N’ Poses subpanel (right), single-sequence block, bar 2 from left (ESMFold2-Fast (single sequence)), exact printed bar label |
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| Configuration: ESMFold2 (MSA, 10 loops) | Protocol: ESMFold2 Runs N’ Poses reported comparison msa: Runs N’ Poses ligand pass rate (MSA) Dataset subset: Runs N’ Poses complete-case intersection: 2,573 scored ligands (ESMFold2 Runs N’ Poses reported comparison split) | 67% ligand_pass_rate percent · higher Uncertainty: Not reported Coverage: unit: ligands; scored: 2573; eligible: unreported; note: Complete-case intersection; source 2600 systems is not a ligand denominator. | Author-reported evaluation · Source checkedMethods, coverage and sourceESMFold2 (MSA, 10 loops) on ESMFold2 Runs N’ Poses reported comparison msa: Runs N’ Poses ligand pass rate (MSA) Runs N’ Poses receptor–ligand co-folding; source benchmark 2,600 systems. Figure 2C reports n=2,573 scored ligands on the intersection where all models produced valid predictions, after excluding undefined SuCOS scores. Multiple ligands in one system are scored independently. Five seeds × five diffusion samples per target; select top candidate by ipTM. Success requires lDDT-PLI >0.8 and BiSyRMSD <2 angstrom. Baselines use 10 recycles and 200 diffusion steps; ESMFold2 uses 10 or 20 loops as labelled and truncated 68-step diffusion. Single-sequence and MSA conditions remain separate. Aggregation: Not reported ESMFold2 primary paper v1, Figure 2C Runs N’ Poses · PDF page 5, Figure 2C, Runs N’ Poses subpanel (right), msa block, bar 10 from left (ESMFold2 (MSA, 10 loops)), exact printed bar label |
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| Configuration: ESMFold2 (MSA, 20 loops) | Protocol: ESMFold2 Runs N’ Poses reported comparison msa: Runs N’ Poses ligand pass rate (MSA) Dataset subset: Runs N’ Poses complete-case intersection: 2,573 scored ligands (ESMFold2 Runs N’ Poses reported comparison split) | 68% ligand_pass_rate percent · higher Uncertainty: Not reported Coverage: unit: ligands; scored: 2573; eligible: unreported; note: Complete-case intersection; source 2600 systems is not a ligand denominator. | Author-reported evaluation · Source checkedMethods, coverage and sourceESMFold2 (MSA, 20 loops) on ESMFold2 Runs N’ Poses reported comparison msa: Runs N’ Poses ligand pass rate (MSA) Runs N’ Poses receptor–ligand co-folding; source benchmark 2,600 systems. Figure 2C reports n=2,573 scored ligands on the intersection where all models produced valid predictions, after excluding undefined SuCOS scores. Multiple ligands in one system are scored independently. Five seeds × five diffusion samples per target; select top candidate by ipTM. Success requires lDDT-PLI >0.8 and BiSyRMSD <2 angstrom. Baselines use 10 recycles and 200 diffusion steps; ESMFold2 uses 10 or 20 loops as labelled and truncated 68-step diffusion. Single-sequence and MSA conditions remain separate. Aggregation: Not reported ESMFold2 primary paper v1, Figure 2C Runs N’ Poses · PDF page 5, Figure 2C, Runs N’ Poses subpanel (right), msa block, bar 11 from left (ESMFold2 (MSA, 20 loops)), exact printed bar label |
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| Configuration: ESMFold2 (single sequence, 10 loops) | Protocol: ESMFold2 Runs N’ Poses reported comparison single-sequence: Runs N’ Poses ligand pass rate (single sequence) Dataset subset: Runs N’ Poses complete-case intersection: 2,573 scored ligands (ESMFold2 Runs N’ Poses reported comparison split) | 66% ligand_pass_rate percent · higher Uncertainty: Not reported Coverage: unit: ligands; scored: 2573; eligible: unreported; note: Complete-case intersection; source 2600 systems is not a ligand denominator. | Author-reported evaluation · Source checkedMethods, coverage and sourceESMFold2 (single sequence, 10 loops) on ESMFold2 Runs N’ Poses reported comparison single-sequence: Runs N’ Poses ligand pass rate (single sequence) Runs N’ Poses receptor–ligand co-folding; source benchmark 2,600 systems. Figure 2C reports n=2,573 scored ligands on the intersection where all models produced valid predictions, after excluding undefined SuCOS scores. Multiple ligands in one system are scored independently. Five seeds × five diffusion samples per target; select top candidate by ipTM. Success requires lDDT-PLI >0.8 and BiSyRMSD <2 angstrom. Baselines use 10 recycles and 200 diffusion steps; ESMFold2 uses 10 or 20 loops as labelled and truncated 68-step diffusion. Single-sequence and MSA conditions remain separate. Aggregation: Not reported ESMFold2 primary paper v1, Figure 2C Runs N’ Poses · PDF page 5, Figure 2C, Runs N’ Poses subpanel (right), single-sequence block, bar 3 from left (ESMFold2 (single sequence, 10 loops)), exact printed bar label |
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| Configuration: ESMFold2 (single sequence, 20 loops) | Protocol: ESMFold2 Runs N’ Poses reported comparison single-sequence: Runs N’ Poses ligand pass rate (single sequence) Dataset subset: Runs N’ Poses complete-case intersection: 2,573 scored ligands (ESMFold2 Runs N’ Poses reported comparison split) | 66% ligand_pass_rate percent · higher Uncertainty: Not reported Coverage: unit: ligands; scored: 2573; eligible: unreported; note: Complete-case intersection; source 2600 systems is not a ligand denominator. | Author-reported evaluation · Source checkedMethods, coverage and sourceESMFold2 (single sequence, 20 loops) on ESMFold2 Runs N’ Poses reported comparison single-sequence: Runs N’ Poses ligand pass rate (single sequence) Runs N’ Poses receptor–ligand co-folding; source benchmark 2,600 systems. Figure 2C reports n=2,573 scored ligands on the intersection where all models produced valid predictions, after excluding undefined SuCOS scores. Multiple ligands in one system are scored independently. Five seeds × five diffusion samples per target; select top candidate by ipTM. Success requires lDDT-PLI >0.8 and BiSyRMSD <2 angstrom. Baselines use 10 recycles and 200 diffusion steps; ESMFold2 uses 10 or 20 loops as labelled and truncated 68-step diffusion. Single-sequence and MSA conditions remain separate. Aggregation: Not reported ESMFold2 primary paper v1, Figure 2C Runs N’ Poses · PDF page 5, Figure 2C, Runs N’ Poses subpanel (right), single-sequence block, bar 4 from left (ESMFold2 (single sequence, 20 loops)), exact printed bar label |
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| Configuration: OpenFold3 (MSA) | Protocol: ESMFold2 Runs N’ Poses reported comparison msa: Runs N’ Poses ligand pass rate (MSA) Dataset subset: Runs N’ Poses complete-case intersection: 2,573 scored ligands (ESMFold2 Runs N’ Poses reported comparison split) | 60% ligand_pass_rate percent · higher Uncertainty: Not reported Coverage: unit: ligands; scored: 2573; eligible: unreported; note: Complete-case intersection; source 2600 systems is not a ligand denominator. | Author-reported evaluation · Source checkedMethods, coverage and sourceOpenFold3 (MSA) on ESMFold2 Runs N’ Poses reported comparison msa: Runs N’ Poses ligand pass rate (MSA) Runs N’ Poses receptor–ligand co-folding; source benchmark 2,600 systems. Figure 2C reports n=2,573 scored ligands on the intersection where all models produced valid predictions, after excluding undefined SuCOS scores. Multiple ligands in one system are scored independently. Five seeds × five diffusion samples per target; select top candidate by ipTM. Success requires lDDT-PLI >0.8 and BiSyRMSD <2 angstrom. Baselines use 10 recycles and 200 diffusion steps; ESMFold2 uses 10 or 20 loops as labelled and truncated 68-step diffusion. Single-sequence and MSA conditions remain separate. Aggregation: Not reported ESMFold2 primary paper v1, Figure 2C Runs N’ Poses · PDF page 5, Figure 2C, Runs N’ Poses subpanel (right), msa block, bar 6 from left (OpenFold3 (MSA)), exact printed bar label |
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| Configuration: Protenix-v1 (MSA) | Protocol: ESMFold2 Runs N’ Poses reported comparison msa: Runs N’ Poses ligand pass rate (MSA) Dataset subset: Runs N’ Poses complete-case intersection: 2,573 scored ligands (ESMFold2 Runs N’ Poses reported comparison split) | 66% ligand_pass_rate percent · higher Uncertainty: Not reported Coverage: unit: ligands; scored: 2573; eligible: unreported; note: Complete-case intersection; source 2600 systems is not a ligand denominator. | Author-reported evaluation · Source checkedMethods, coverage and sourceProtenix-v1 (MSA) on ESMFold2 Runs N’ Poses reported comparison msa: Runs N’ Poses ligand pass rate (MSA) Runs N’ Poses receptor–ligand co-folding; source benchmark 2,600 systems. Figure 2C reports n=2,573 scored ligands on the intersection where all models produced valid predictions, after excluding undefined SuCOS scores. Multiple ligands in one system are scored independently. Five seeds × five diffusion samples per target; select top candidate by ipTM. Success requires lDDT-PLI >0.8 and BiSyRMSD <2 angstrom. Baselines use 10 recycles and 200 diffusion steps; ESMFold2 uses 10 or 20 loops as labelled and truncated 68-step diffusion. Single-sequence and MSA conditions remain separate. Aggregation: Not reported ESMFold2 primary paper v1, Figure 2C Runs N’ Poses · PDF page 5, Figure 2C, Runs N’ Poses subpanel (right), msa block, bar 9 from left (Protenix-v1 (MSA)), exact printed bar label |
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