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mlip-arena / mlip_arena /tasks /diatomics

Commit History

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

add sevennet diatomic json
152939f

cyrusyc commited on

add warning pre-alpha message, add equiformer-oc20
9361457

cyrusyc commited on

add m3gnet diatomic task
8a5a7ef

cyrusyc commited on

improve stability visualization; update leaderborad
3b3aaa9

cyrusyc commited on

reform scaffold
9d1a2a5

cyrusyc commited on

add notebooks
5225959

cyrusyc commited on

add alignn
eadac93

cyrusyc commited on

add alignn
5b01054

cyrusyc commited on

add equiformer, escn; add leaderboard
51cdd18

cyrusyc commited on

add equiformer, escn; add leaderboard
221dfe3

cyrusyc commited on

add mlip diatomic curves
d9ed521

cyrusyc commited on

implement app scaffold, add diatomics visualization
034838c

cyrusyc commited on

implement app scaffold, add diatomics visualization
d7d26c2

cyrusyc commited on