Merge learned canonicalization into equiformer branch - #65

Merged

Ramlaoui merged 19 commits into

learn-cano-func

Jul 7, 2024

Commits on May 15, 2024

added support for Sign Equivariant SFA
theosaulus
committed
9fca575
bug fix
theosaulus
committed
2f24ee2

Commits on May 16, 2024

debug
theosaulus
committed
0909cff

Commits on May 19, 2024

centering pos before trained cano to have E(3) instead of O(3)
theosaulus
committed
8105827
testing signnet - not the right implem
theosaulus
committed
ba951e6
playing with VN pointnet
theosaulus
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f011098
minor changes
theosaulus
committed
24e38f9
added support for QM7x and QM9
theosaulus
committed
774d86e
added support for sign_equiv_sfa, and renamed sign_inv_sfa appropriately
theosaulus
committed
38d3844

Commits on May 20, 2024

bug fix
theosaulus
committed
cc7cc04
bug fix
theosaulus
committed
bb8c6f7

Commits on May 28, 2024

fix + gram schmidt
theosaulus
committed
384f910
direct forces and support for qm7x sym
theosaulus
committed
48aec96
minor changes
theosaulus
committed
5141584

Commits on Jun 19, 2024

clean + added sign-inv E3-equiv net
theosaulus
committed
1066e48

Commits on Jun 29, 2024

cleaning
theosaulus
committed
8b1a770
added support for sign invariant E(3)-equivariant cano
theosaulus
committed
2cece77

Commits on Jul 7, 2024

cleaning
theosaulus
committed
640166c
Merge branch 'equiformer' into learn-cano-func
Ramlaoui
authored
52eabe6