Add detailed algorithm citations from RFdiffusion3 SI#3
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TimS-ml merged 1 commit intoproductionfrom Dec 25, 2025
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Add line-by-line citations mapping code to algorithms in ./docs/rf3_si.pdf: - Algorithm 1 (inference_sampler.py): Main inference diffusion loop - Lines 1-12 annotated for the denoising diffusion process - Includes gamma modulation, noise injection, and coordinate updates - Algorithm 2 (inference_sampler.py): Symmetric inference diffusion loop - Lines 1-13 annotated for homo-oligomer design - Key difference: symmetry operations applied during diffusion - Algorithm 3 (encoders.py): Token initializer - Lines 1-12 annotated for token-level feature generation - Includes 1D embedding, pair features, and Pairformer processing - Algorithm 4 (encoders.py): Atom initializer - Lines 1-8 annotated for atom-level feature generation - Includes motif/reference embeddings and MLP processing - Algorithm 5 (RFD3_diffusion_module.py): Diffusion forward pass with recycling - Lines 1-18 annotated for the main diffusion module - Includes encoder, transformer, decoder, and recycling loop All annotations follow the format "Algorithm X - line Y" to match the user's requested style for easy cross-referencing with the paper.
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Add line-by-line citations mapping code to algorithms in ./docs/rf3_si.pdf:
Algorithm 1 (inference_sampler.py): Main inference diffusion loop
Algorithm 2 (inference_sampler.py): Symmetric inference diffusion loop
Algorithm 3 (encoders.py): Token initializer
Algorithm 4 (encoders.py): Atom initializer
Algorithm 5 (RFD3_diffusion_module.py): Diffusion forward pass with recycling
All annotations follow the format "Algorithm X - line Y" to match the user's requested style for easy cross-referencing with the paper.