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fix(synthetic): drop setup_entities() from atomarray_to_gemmi so written cifs round-trip chain_info
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fix(synthetic): drop setup_entities() from atomarray_to_gemmi so written cifs round-trip chain_info
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feat(cli): select and configure rewards via --reward-type and --reward-config
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feat(rewards): add reward option schemas, a registry, and configuration parsing (#358)
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feat(rewards): add a prepare hook to the reward protocol and scalers
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feat(it-opt): give each ensemble member its own trunk latent
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feat(it-opt): per step latent space optimization
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feat(rewards): add torchref-backed reciprocal-space x-ray reward
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(fix)fix ppdl init from noise and atom filtering.
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feat(it-opt): give each ensemble member its own trunk latent
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fix(eval): let --rcsb-pattern extract an id embedded in a longer fold…
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fix(eval): let --rcsb-pattern extract an id embedded in a longer folder
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fix(eval): let --rcsb-pattern extract an id embedded in a longer folder
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feat(rewards): add differentiable structure-factor reward (#324)
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