Nathaniel Corley d10cc62c69 test: additional regression tests (#581) ...

* docs: README warning update

Added notices regarding bug fixes and upcoming changes.

* fix: inference for RF3

* chore: reomve submodules

* feat: update ligand templating, bump atomworks version

* Fix iptm bug, add min ipae and ipde calc and ruff formatting

* refactor: rf3 lab

* wip: save before letting Claude rip

* fix: working rf3

* chore: apptainers, ipd, rf3 runnable

* fix: README, environment, conftest

* add laproteina training and inference with new rf3 structure

* fix: updates to fix RF3

* feat: updates from proteina pipeline, squashfs manager

* fix: updates to support latest Run10 RF3

* fix: element type bug, utils, conformers

* update: ckpt path

* fix: add symlinked apptainer

* fix: MSAs for inference

* fix: apptainers, submodule bump for atomworks

* fix: apptainers

* Wip/attention improvements (#554)

* feat: inference sharding; folders

* refactor: attention module reorganization and cleanup

* fix: regression tests

* feature: RF3 inference with atom arrays

* refactor: move datasets

* tests: additional regression tests

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Co-authored-by: Kieran Didi <kieran.didi@gmail.com>
Co-authored-by: Kieran Didi <kdidi@nvidia.com>

2025-10-24 14:57:12 -07:00

..

atomworks @ 11b5d0d762

test: additional regression tests (#581)

2025-10-24 14:57:12 -07:00