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feat: NPU (Ascend 910B3) support for RFdiffusion inference
#459xuejiakn opened Aug 29, 2026
6
Avoid DGL dependency
#455jvdoorss opened May 20, 2026
3
perf/accuracy: Flash Attention, torch-native SO(3), cosine schedule, DDIM, analytical g(t), acos fix
#454mooreneural opened May 19, 2026
3
refactor: extract magic numbers into named constants module
#448haoyu-haoyu opened Mar 20, 2026
perf: reduce GPU memory usage during inference
#447haoyu-haoyu opened Mar 20, 2026
feat: add input validation for early error detection
#446haoyu-haoyu opened Mar 20, 2026
fix: replace deprecated torch.cuda.amp with torch.amp
#445haoyu-haoyu opened Mar 20, 2026
Fix: Conditionally pass idx_pdb to writepdb to avoid AttributeError with SelfConditioning/ScaffoldedSampler
#409woodsh17 opened Sep 29, 2025Member
1
Fix cyclic_reses error when doing scaffoldguided.scaffoldguided=True
#407RuizhiPeng opened Sep 28, 2025
Fix broken CI from rfpeptides examples
#381davidcjuergens opened Aug 2, 2025Collaborator
Oligomer generation for translational symmetry
#354kierannp opened Jun 17, 2025
Update Dockerfile to include numpy1.24.3
#309arikat opened Jan 7, 2025
1
Update model_runners.py
#286brianloyal opened Oct 21, 2024Contributor
use user HOME dir for cache, config, models
#253EricDeveaud opened Jun 21, 2024
1
Bug fix: centroid_m2
#250awlange opened Jun 20, 2024
Fixed Dockerfile numpy version bug
#249AlexTaguchi opened Jun 18, 2024
2
docs: about a python command pitfall
#237linonetwo opened May 8, 2024
fix: Add .long() to seq_orig
#236linonetwo opened May 8, 2024
Add information about sampled contig
#233roccomoretti opened Apr 26, 2024Member
Fix symmetric oligomer example bug in readme
#168patriksimurka opened Dec 7, 2023
Update SE3nv.yml
#156gefei-qian-nih opened Nov 15, 2023
2
Update Dockerfile to use conda
#117javierbq opened Aug 31, 2023Member
Implemented seed argument for reproducibility (redo)
#71nzrandol opened Jun 13, 2023Member
1

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feat: NPU (Ascend 910B3) support for RFdiffusion inference

Avoid DGL dependency

perf/accuracy: Flash Attention, torch-native SO(3), cosine schedule, DDIM, analytical g(t), acos fix

refactor: extract magic numbers into named constants module

perf: reduce GPU memory usage during inference

feat: add input validation for early error detection

fix: replace deprecated torch.cuda.amp with torch.amp

Fix: Conditionally pass idx_pdb to writepdb to avoid AttributeError with SelfConditioning/ScaffoldedSampler

Fix cyclic_reses error when doing scaffoldguided.scaffoldguided=True

Fix broken CI from rfpeptides examples

Oligomer generation for translational symmetry

Update Dockerfile to include numpy1.24.3

Update model_runners.py

use user HOME dir for cache, config, models

Bug fix: centroid_m2

Fixed Dockerfile numpy version bug

docs: about a python command pitfall

fix: Add `.long()` to seq_orig

Add information about sampled contig

Fix symmetric oligomer example bug in readme

Update SE3nv.yml

Update Dockerfile to use conda

Implemented seed argument for reproducibility (redo)

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