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update #6
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JonathanSchmidt1
merged 100 commits into
JonathanSchmidt1:alexandria_api
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IntelLabs:main
Feb 19, 2024
Merged
update #6
JonathanSchmidt1
merged 100 commits into
JonathanSchmidt1:alexandria_api
from
IntelLabs:main
Feb 19, 2024
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Bumps [dgl](https://github.com/dmlc/dgl) from 0.9.1 to 2.0.0. - [Release notes](https://github.com/dmlc/dgl/releases) - [Changelog](https://github.com/dmlc/dgl/blob/master/NEWS.md) - [Commits](dmlc/dgl@0.9.1...v2.0.0) --- updated-dependencies: - dependency-name: dgl dependency-type: direct:production update-type: version-update:semver-major ... Signed-off-by: dependabot[bot] <[email protected]>
Quick Lightning 2.0 Compatibility Update
build(deps-dev): Bump dgl from 0.9.1 to 2.0.0
Adding support for ColabFit Datasets
This ports code over from the `UnitCellCalculator` class, and adds a docstring that specifies the scope of this transform.
This uses keys that will be cleaned up after the point cloud to graph transform
We rely on user specifying which graph transform to use in the remainder of th epipeline
This allows for the periodic boundary conditions to be computed and then a graph constructed from it without redundancy.
Signed-off-by: Lee, Kin Long Kelvin <[email protected]>
Signed-off-by: Lee, Kin Long Kelvin <[email protected]>
Signed-off-by: Lee, Kin Long Kelvin <[email protected]>
Signed-off-by: Lee, Kin Long Kelvin <[email protected]>
Signed-off-by: Lee, Kin Long Kelvin <[email protected]>
Signed-off-by: Lee, Kin Long Kelvin <[email protected]>
Upgrade matgl to 1.0.0
M3GNet Model Refactor
Periodic graph transform fixes
TensorNet Integration
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