Add convenient ZBL torch calculator (#44)
7cc6c4a
unverified
Yuan (Cyrus) Chiang
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promote tasks up to module level
8d70c47
promote run deps, bump prefect and mace versions (#40)
ccfdb25
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Yuan (Cyrus) Chiang
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Add neb task (#38)
e59bc30
unverified
Yuan (Cyrus) Chiang
commited on
Add elasticity task (#37)
587c7e5
unverified
Yuan (Cyrus) Chiang
commited on
Allow fine grained intermediate cache for optimization in EOS task (#35)
b7a7786
unverified
Yuan (Cyrus) Chiang
commited on
High-throughput EOS flow on alloy systems (#30)
1d1ee87
unverified
Yuan (Cyrus) Chiang
commited on
Return equilibrium volume and energy from EOS task (#29)
08a88d8
unverified
Yuan (Cyrus) Chiang
commited on
refactor eos into task (#28)
51638da
unverified
Yuan (Cyrus) Chiang
commited on
Add MatterSim (#25)
b9692e2
unverified
Yuan (Cyrus) Chiang
commited on
Add ORB v2 (#18)
8396dce
unverified
Yuan (Cyrus) Chiang
commited on
Feat: add DeepMD pretrain model (#12)
f1eddde
unverified
test md
4817e63
avoid align test failuare due to poor download design
e59afe6
Add `eqV2_86M_omat_mp_salex` model (#14)
52c1bfb
unverified
Yuan (Cyrus) Chiang
commited on
enable eos test
6627261
add eos notebook
c7922c2
minor cleanup
5b87ae4
add pytest skip reason
be3a290
test eos on only 3.11
4cf73ad
refactor test eos
c3e45ae
restrict mace version, update eos test
79e5bd9
verbose test
18d7cd4
add relax task, eos workflow, and prefect test
1effaf5
Add calculator test (#6)
1c7cd6c
unverified
Yuan (Cyrus) Chiang
commited on