Skip to content

Development priority list #76

@jameskermode

Description

@jameskermode
  • Efficient jacobians (basis wrt positions) needed for ACE potential basis assembly for training
  • Backward pass through full Lux-based ACE models
  • Cleanup EquivariantTensors
  • TRACE
  • Bring back purification

Moved to ACEpotentials:

  • Fully non-linear ACE fits - end-to-end Zygote-based AD through Lux-based ACE models
  • Pre-trained/exported embeddings (e.g. from MACE) then used for linear ACE models or TRACE models
  • Deprecate then drop support for pre-Lux models

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions