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Pull requests: jwohlwend/boltz

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Pull requests list

Added symmetry.pkl and ccd.rdb writing to the training data prep pipeline
#614 opened Nov 11, 2025 by chmnk Loading…
1
Add weighted RMSD validation and shared CIF writer
#610 opened Nov 5, 2025 by AlvandVahedi Loading…
Specify which device to run on
#603 opened Oct 25, 2025 by delalamo Loading…
2
Fixed --write_full_pae and --write_full_pde options. Fixes #585
#602 opened Oct 24, 2025 by tomgoddard Loading…
2
Replace urllib.request.urlretrieve with requests library
#601 opened Oct 24, 2025 by ianandersonlol Loading…
Add docker support for inference
#595 opened Oct 18, 2025 by juliocesar-io Loading…
Fix #583 parsing .csv MSA files removes paired sequences.
#584 opened Sep 26, 2025 by tomgoddard Loading…
Fix #581 constructing MSA feature array
#582 opened Sep 26, 2025 by tomgoddard Loading…
Only consider standard residues in consecutive CA filter
#576 opened Sep 17, 2025 by bcm49 Loading…
Allow template to have indel compared to the original sequence
#538 opened Aug 13, 2025 by shunsakuraba Loading…
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…
6
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…
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
ProTip! Exclude everything labeled bug with -label:bug.