conditional gen#34

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kleinhenz wants to merge 33 commits intomainfrom

conditional-gen

Commits on Jun 3, 2025

test commit
Shashank Sule
committed

Commits on Jun 4, 2025

scratch folder added
Shashank Sule
committed

Commits on Jun 5, 2025

scratch files for JAMUN run on alanine dipeptide uncapped
Shashank Sule
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prep for hidden state introduction to denoiser
Shashank Sule
committed

Commits on Jun 9, 2025

introduced hidden state in data, made a test denoiser module with conditioning
Shashank Sule
committed

Commits on Jun 13, 2025

conditional generation models, testing, and hydra debugging script
Shashank Sule
committed

Commits on Jun 16, 2025

checks on conditioned denoising model
Shashank Sule
committed

Commits on Jun 24, 2025

conditioning module set up, dataloaders with time lags, and adding multimeasurement noise
Shashank Sule
committed

Commits on Jun 25, 2025

multimeasurement loss added and tested with sweeps
Shashank Sule
committed

Commits on Jul 11, 2025

added label override to dataset parser
Shashank Sule
committed

Commits on Jul 14, 2025

Bug fix, label override, init graph recentering
Shashank Sule
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Commits on Jul 19, 2025

Added a data generation protocol for generating equilibrium structures and then swarms for a set of pdbs.
Vani
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Commits on Jul 24, 2025

New configs for noise check experiments, debugged multimeasurement (still slow), sweep scripts
Shashank Sule
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merge from main
Shashank Sule
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added kwargs to score function processed
Shashank Sule
committed

Commits on Jul 26, 2025

catch up with main
Shashank Sule
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Commits on Jul 27, 2025

Updated configs/sbatch script for single run
Shashank Sule
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Commits on Jul 28, 2025

feat: Add spatiotemporal conditioning with input attributes for enhanced denoising
Shashank Sule
committed

Commits on Jul 30, 2025

added spatiotemporal transformer with configs
Shashank Sule
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Commits on Aug 3, 2025

wrapper for pretrained_denoiser
Shashank Sule
committed

Commits on Aug 8, 2025

Fixes:
Shashank Sule
committed

Commits on Aug 12, 2025

New configs, sampling sweep, modified sampler
Shashank Sule
committed

Commits on Aug 18, 2025

conditional-gen
Shashank Sule
committed

Commits on Aug 19, 2025

commits for cluster migration
Shashank Sule
committed

Commits on Aug 22, 2025

pre commit before documentation commit
Shashank Sule
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documentation commit
Shashank Sule
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documentation commit
Shashank Sule
committed
documentation commit
Shashank Sule
committed
documentation commit
Shashank Sule
committed

Commits on Feb 5, 2026