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Pull requests: jwohlwend/boltz

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Pull requests list

Add basic support for mps (Apple Silicon) as an accelerator
#527 opened Aug 5, 2025 by colbyford Loading…
1
Add PDB loader helper & extend schema to accept pdb_file.
#517 opened Jul 30, 2025 by Bioparticles Loading…
Generify MinimumLengthFilter name
#516 opened Jul 29, 2025 by amorehead Loading…
Look up MSA files relative to input fasta/yaml
#500 opened Jul 22, 2025 by Emrys-Merlin Loading…
Feat: Enhance device compatibility with Lightning Trainer API
#490 opened Jul 17, 2025 by yishutu Loading…
Removing content-type from authentication headers
#488 opened Jul 17, 2025 by papagala Loading…
2
Add basic version reporting
#480 opened Jul 15, 2025 by Jnelen Loading…
1
Unify defaults handling for click cli
#463 opened Jul 10, 2025 by wresch Loading…
5
Add seperate msa command
#461 opened Jul 10, 2025 by Jnelen Loading…
3
Manifest which checks the existence of affinity info
#449 opened Jul 7, 2025 by Anindyadeep Loading…
1
Feature: add cli option for torch's built in matmul precision on supported graphics cards
#413 opened Jun 23, 2025 by AeneasTews Loading…
5
Fix: Unsafe PyTorch Model Loading Could Allow Malicious Code Execution in scripts/train/train.py
#398 opened Jun 20, 2025 by kira-offgrid Loading…
Fix: Unsafe Command Execution Could Allow Malicious Code to Run in scripts/eval/run_evals.py
#382 opened Jun 17, 2025 by kira-offgrid Loading…
Fix: Unsafe PyTorch Model Loading Could Allow Malicious Code Execution in scripts/train/train.py
#381 opened Jun 17, 2025 by kira-offgrid Loading…
Memory spikes
#374 opened Jun 16, 2025 by jvdoorss Loading…
fix: corrected sign error and clarified calculation of binding energy
#363 opened Jun 13, 2025 by nope-sto Loading…
Fix: Unsafe Data Loading in Python Could Allow Malicious Code Execution in src/boltz/data/types.py
#344 opened Jun 11, 2025 by kira-offgrid Loading…
Respect --override flag for affinity predictions; use all devices by passing --devices=0
#326 opened Jun 9, 2025 by timodonnell Loading…
Abstract diagrams for the boltz codebase
#318 opened Jun 8, 2025 by ivanmilevtues Loading…
1
Fix tests in test_regression.py
#293 opened Jun 6, 2025 by danieldanciu Loading…
feat: add AF-sample2 style random MSA masking (--mask_msa)
#291 opened Jun 6, 2025 by suzuki-2001 Loading…
6
Added CI setup, fixed error with torch.load(), fixed GPU tests crash with runners & centralize pytest config
#272 opened May 27, 2025 by afloresep Loading…
Enable ligand SDF output from boltz predict
#268 opened May 17, 2025 by weitse-hsu Loading…
1
Add command-line chunking parameters for flexible VRAM utilization
#235 opened Apr 17, 2025 by tlitfin-unsw Loading…
4
Running on Apple Silicon GPU with Metal Performance Shader
#231 opened Apr 14, 2025 by fnachon Loading…
4
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