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Pull requests: diff-use/sampleworks
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fix(synthetic): drop setup_entities() from atomarray_to_gemmi so written cifs round-trip chain_info
#378
opened Aug 15, 2026 by
DorisMai
Collaborator
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fix(docker): force pixi environment materialization and pin pixi
#376
opened Aug 14, 2026 by
manzuoni-astera
Contributor
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feat(cli): select and configure rewards via --reward-type and --reward-config
#375
opened Aug 13, 2026 by
manzuoni-astera
Contributor
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Draft
feat(rewards): add reward option schemas, a registry, and configuration parsing (#358)
#374
opened Aug 13, 2026 by
manzuoni-astera
Contributor
•
Draft
feat(rewards): add a prepare hook to the reward protocol and scalers
#373
opened Aug 13, 2026 by
manzuoni-astera
Contributor
•
Draft
feat(rewards): add torchref-backed reciprocal-space x-ray reward
#372
opened Aug 13, 2026 by
HatPdotS
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(fix)fix ppdl init from noise and atom filtering.
#370
opened Aug 12, 2026 by
marcuscollins
Collaborator
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fix(astera): keep pixi's cache off the NFS home volume
#369
opened Aug 12, 2026 by
manzuoni-astera
Contributor
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feat(it-opt): give each ensemble member its own trunk latent
#366
opened Aug 10, 2026 by
smallfishabc
Contributor
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2/2
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ci: move Harbor registry refs to repository variables, add .gitleaksignore
#360
opened Aug 5, 2026 by
Abdelsalam-Abbas
Contributor
•
Draft
feat(synthetic): validate atom array hierarchy before gemmi conversion
#351
opened Jul 28, 2026 by
DorisMai
Collaborator
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feat(evals): add alternative loop classification scores when classifying altlocs into different types
#338
opened Jul 22, 2026 by
k-chrispens
Collaborator
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fix(evals): cif patching regression to allow protenix outputs to run on all evals, and remove hydrogens in RSCC parsing
#336
opened Jul 22, 2026 by
k-chrispens
Collaborator
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feat(rewards): add tmol plausibility and composite rewards
#319
opened Jul 14, 2026 by
etherealsunshine
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feat(it-opt): per step latent space optimization
#313
opened Jul 13, 2026 by
smallfishabc
Contributor
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1/2
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feat, fix(metada carrying): fix metadata dropping through the pipeline (atomworks, predictors), eliminate the post-fact patchign script.
#301
opened Jul 3, 2026 by
rtviii
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