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Published April 7, 2021 | Version 0.2.5
Software Open

e3nn/e3nn:

Authors/Creators

  • 1. @atomicarchitects
  • 2. University of Amsterdam
  • 3. MIR group @ Harvard University
  • 4. University of Michigan
  • 5. Harvard
  • 6. Technical University of Denmark (DTU)
  • 7. Redwood Center for Theoretical Neuroscience

Description

Added
  • Added e3nn.set_optimization_defaults() and e3nn.get_optimization_defaults()
  • Constructors for empty Irreps: Irreps() and Irreps("")
  • Additional tests, docs, and refactoring for Irrep and Irreps.
  • Added TensorProduct.weight_views() and TensorProduct.weight_view_for_instruction()
  • Fix Docs for ExtractIr
Changed
  • Renamed o3.TensorProduct arguments in irreps_in1, irreps_in2 and irreps_out
  • Renamed o3.spherical_harmonics arguement xyz into x
  • Renamed math.soft_one_hot_linspace argument endpoint into cutoff, cutoff = not endpoint
  • Variances are now provided to o3.TensorProduct through explicit in1_var, in2_var, out_var parameters
  • Submodules define __all__; documentation uses shorter module names for the classes/methods.
Fixed
  • Enabling/disabling einsum optimization no longer affects PyTorch RNG state.
Removed
  • Variances can no longer be provided to o3.TensorProduct in the list-of-tuple format for irreps_in1, etc.

Files

e3nn/e3nn-0.2.5.zip

Files (707.6 kB)

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md5:7cc871a3ac8adb9d0e672c8ac59ee20f
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Additional details

Related works

Is supplement to
https://github.com/e3nn/e3nn/tree/0.2.5 (URL)