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mlip-arena / mlip_arena /tasks /diatomics /run.ipynb

Commit History

High-throughput EOS flow on alloy systems (#30)
1d1ee87
unverified

Yuan (Cyrus) Chiang commited on

Add MatterSim (#25)
b9692e2
unverified

Yuan (Cyrus) Chiang commited on

update wte
fff5e51

cyrusyc commited on

Add ORB v2 (#18)
8396dce
unverified

Yuan (Cyrus) Chiang commited on

Add `eqV2_86M_omat_mp_salex` model (#14)
52c1bfb
unverified

Yuan (Cyrus) Chiang commited on

remove python3.9 test; update st pages
ba1879f

cyrusyc commited on

longer combustion trajs, add energy change, reaction energy
bd9f7b0

cyrusyc commited on

some minor cleanup and test
dba3031

cyrusyc commited on

Add COM drift for combustion (#10)
d937c80
unverified

Yuan (Cyrus) Chiang commited on

add combustion results; design rank import mechanism
7dfb0b7

cyrusyc commited on

add eSCN; refactor app.py
78cdc34

cyrusyc commited on

Add calculator test (#6)
1c7cd6c
unverified

Yuan (Cyrus) Chiang commited on

update external calculator classes; update diatomic curves
cf512f3

cyrusyc commited on

add orb model to diatomic tasks
05e8129

cyrusyc commited on

fix typo; add diatomic, combustion notebooks
f0fdb88

cyrusyc commited on