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usnistgov / alignn

Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ&hl=en
https://jarvis.nist.gov/jalignn/
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Make conda-forge and environment.yml file for alignn #133

Open knc6 opened 1 year ago

knc6 commented 1 year ago

Combine dgl conda from dglteam channel with jarvis-tools from conda-forge. Note dgl on conda-forge didn't work yet https://github.com/dmlc/dgl/issues/3498 .