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Commit History

add mac installation script and quickstart MD example (#45)

69330cc
unverified

Yuan (Cyrus) Chiang commited on 7 days ago

avoid update torch during dgl installation

aeaedb4

cyrusyc commited on Dec 14, 2024

Add calculator test (#6)

1c7cd6c
unverified

Yuan (Cyrus) Chiang commited on Sep 20, 2024

update external calculator classes; update diatomic curves

cf512f3

cyrusyc commited on Sep 19, 2024

reform scaffold

9d1a2a5

cyrusyc commited on Jul 8, 2024