All pull requests

Pull requests

• fix: raise on ligand atoms that are not in their CCD entry

  #504·konstde00 opened Nov 4, 2026·

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  1

  

• Reuse t-independent diffusion pair conditioning across rollout steps

  #503·heathcliff233 opened Nov 4, 2026Contributor·2 tasks done·

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• Feat/cif gz support

  #501·WillGPoole opened Nov 3, 2026·

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• perf: opt-in CUDA graph for the diffusion denoising step

  #500·arun-elr opened Nov 1, 2026·

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  3

• geometric-nn-ops: migrate Triton kernels to standalone library

  safe-to-test
  #499·singagan opened Oct 30, 2026Contributor·5 tasks done·

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  1

  

• test(templates): characterize where the preprocessor gets template structures

  #496·jandom opened Oct 28, 2026Collaborator·

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  1

  

• perf: Make the diffusion pair conditioning chunk size reachable

  #494·heathcliff233 opened Oct 28, 2026Contributor·

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  1

• perf: release the inference trunk pair after the confidence clone

  #482·heathcliff233 opened Oct 26, 2026Contributor·

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  3

• Feat/pdb template compatibility and gzip cif files

  safe-to-test
  #477·WillGPoole opened Oct 23, 2026·

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  20

  

• Improve hygiene for os.environ variables

  safe-to-test
  #473·jnwei opened Oct 22, 2026Contributor·2 tasks done·

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  8

• perf: Improve parsing speed of MSA text files

  safe-to-test
  #468·rchauhan9 opened Oct 20, 2026Contributor·

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  3

  

• perf: avoid repeated PAE logits copies in compute_ptm

  safe-to-test
  #456·heathcliff233 opened Oct 15, 2026Contributor·

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  8

• ci: claude-repro action (experimental)

  #453·jandom opened Oct 15, 2026Collaborator·

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  6

  

• fix: prevent integer overflow in paired MSA row ranking

  #444·ethanholz opened Oct 8, 2026Contributor·

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  1

  5

• Step-invariant hoists in the rollout

  #432·rostro36 opened Sep 29, 2026Contributor·

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  1

• Add option to keep inference template data

  #430·ahmedtaha100 opened Sep 26, 2026Contributor·

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  1

  10

• Covalent bond support - production

  #423·gnikolenyi opened Sep 21, 2026Collaborator·

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  1

  

• Feature/add megafold sng attn

  sketch
  #422·bluecake-dh opened Sep 19, 2026Contributor·

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  1

• Inference memory: fused input relpos and pair SwiGLU

  #418·heathcliff233 opened Sep 18, 2026Contributor·

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• Reworking DDP usage to save ram

  2026-08/lambda
  #416·chelsea0x3b opened Sep 17, 2026Contributor·

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  1

• Add Intel GPU (XPU) support

  #415·rajeshgangireddy opened Sep 17, 2026·

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  5

• Offloading msa & pairformer activations

  2026-08/lambda
  #410·chelsea0x3b opened Sep 14, 2026Contributor·

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  1

• Skip grad accum allocations when grad accum == 1

  2026-08/lambda
  #409·chelsea0x3b opened Sep 14, 2026Contributor·

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• Avoiding duplicating the diffusion module

  2026-08/lambdasafe-to-test
  #408·chelsea0x3b opened Sep 14, 2026Contributor·

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  6

• fix: issue 406 custom template filenames dropped

  safe-to-test
  #407·jandom opened Sep 14, 2026Collaborator·

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  1

  6