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mlip-arena / mlip_arena /tasks /optimize.py

Commit History

more logger; fix relaxation filter

e80e29d

cyrusyc commited on Jan 12

improve caching, unify calculator init

a787930

cyrusyc commited on Jan 12

High-throughput EOS flow on alloy systems (#30)

1d1ee87
unverified

Yuan (Cyrus) Chiang commited on Dec 18, 2024

refactor eos into task (#28)

51638da
unverified

Yuan (Cyrus) Chiang commited on Dec 14, 2024

Add `eqV2_86M_omat_mp_salex` model (#14)

52c1bfb
unverified

Yuan (Cyrus) Chiang commited on Oct 21, 2024

add eos notebook

c7922c2

cyrusyc commited on Oct 10, 2024

add relax task, eos workflow, and prefect test

1effaf5

cyrusyc commited on Oct 8, 2024