MatterGen / model /sampling_conf /default.yaml
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sampler_partial:
_target_: model.diffusion.sampling.classifier_free_guidance.GuidedPredictorCorrector.from_pl_module
N: 1000
eps_t: ${eval:'1/${.N}'}
_partial_: true
guidance_scale: 0.0
remove_conditioning_fn:
_target_: onescience.modules.embedding.mattergen_property_embeddings.SetUnconditionalEmbeddingType
keep_conditioning_fn:
_target_: onescience.modules.embedding.mattergen_property_embeddings.SetConditionalEmbeddingType
predictor_partials:
pos:
_target_: model.diffusion.wrapped.wrapped_predictors_correctors.WrappedAncestralSamplingPredictor
_partial_: true
cell:
_target_: model.common.diffusion.predictors_correctors.LatticeAncestralSamplingPredictor
_partial_: true
atomic_numbers:
_target_: model.diffusion.d3pm.d3pm_predictors_correctors.D3PMAncestralSamplingPredictor
predict_x0: True
_partial_: true
corrector_partials:
pos:
_target_: model.diffusion.wrapped.wrapped_predictors_correctors.WrappedLangevinCorrector
_partial_: true
max_step_size: 1e6
snr: 0.4
cell:
_target_: model.common.diffusion.predictors_correctors.LatticeLangevinDiffCorrector
_partial_: true
max_step_size: 1e6
snr: 0.2
n_steps_corrector: 1
condition_loader_partial:
_partial_: true
_target_: onescience.datapipes.materials.mattergen.condition_factory.get_number_of_atoms_condition_loader