luigibonati / mlcolvar

A unified framework for machine learning collective variables for enhanced sampling simulations
MIT License
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Support for task-specific layers #53

Closed andrrizzi closed 1 year ago

andrrizzi commented 1 year ago

Task-specific layers can be added within the auxiliary loss functions of MultiTaskCV, and now they will be trained.

codecov[bot] commented 1 year ago

Codecov Report

Merging #53 (0975052) into lightning (1bf6316) will not change coverage. The diff coverage is 0.00%.