mindsponge.metrics

API Name

Description

Supported Platforms

mindsponge.metrics.BalancedMSE

Balanced MSE error Compute Balanced MSE error between the prediction and the ground truth to solve unbalanced labels in regression task.

Ascend GPU

mindsponge.metrics.BinaryFocal

Focal error for Binary classifications.

Ascend GPU

mindsponge.metrics.MultiClassFocal

Focal error for multi-class classifications.

Ascend GPU

mindsponge.metrics.backbone

Backbone FAPE Loss using frame_aligned_point_error_map function.

Ascend GPU

mindsponge.metrics.between_residue_bond

Flat-bottom loss to penalize structural violations between residues.

Ascend GPU

mindsponge.metrics.between_residue_clash

This is a loss penalizing any steric clashes due to non bonded atoms in different peptides coming too close.

Ascend GPU

mindsponge.metrics.compute_renamed_ground_truth

Find optimal renaming of ground truth based on the predicted positions.

Ascend GPU

mindsponge.metrics.frame_aligned_point_error

Measure point error under different alignments which computes error between two structures with B points under A alignments derived from the given pairs of frames.

Ascend GPU

mindsponge.metrics.frame_aligned_point_error_map

Measure point error under different alignments which computes error between two structures with B points under A alignments derived from the given pairs of frames.

Ascend GPU

mindsponge.metrics.get_structural_violations

Computes several checks for structural violations.

Ascend GPU

mindsponge.metrics.local_distance_difference_test

Compute true and predicted distance matrices for \(C\alpha\).

Ascend GPU

mindsponge.metrics.sidechain

sidechain FAPE Loss which take all local frames (side-chain, backbone) into consideration.

Ascend GPU

mindsponge.metrics.supervised_chi

Computes loss for direct chi angle supervision.

Ascend GPU

mindsponge.metrics.within_residue_violations

Loss to penalize steric clashes within residues.

Ascend GPU