mlip-arena / mlip_arena

Commit History

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

Yuan (Cyrus) Chiang commited on

update gitignore
bd8cd88

cyrusyc commited on

add eos notebook
c7922c2

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minor cleanup
5b87ae4

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restrict mace version, update eos test
79e5bd9

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add eos flow file
1e50f35

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add relax task, eos workflow, and prefect test
1effaf5

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clean up and add copyright notice
2f7e23a

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add sevennet stability json
6bc1d71

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add cache for stability page
f7e9143

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fix colormap not updating due to cache
bcf00b7

cyrusyc 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

avoid prefect dependency on hf
18cbf00

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 package and ckpt info
d78049e

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add orb model to diatomic tasks
05e8129

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add release workflow
ad38d4e

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fix typo; add diatomic, combustion notebooks
f0fdb88

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add combustion MD runtime speed
17bfe96

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update model metadata
7f5709e

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update model tasks in registry
c31fd29

cyrusyc commited on

update combustion
7c36d54

cyrusyc commited on

add sevennet diatomic json
152939f

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update leaderboard
aecc8a6

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

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add EquiformerV2 OC20 ckpt
03db5cf

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add m3gnet diatomic task
8a5a7ef

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add combustion page
e6cac5c

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improve stability visualization; update leaderborad
3b3aaa9

cyrusyc commited on

add md step bar charts
606b930

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add stability data, update page
0d1ce35

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update ptable, add statbility, update pyproject.toml
3eda6d3

cyrusyc commited on

refactor external calculators; better handle devices
7cbf186

cyrusyc commited on

add task `stability` and md run script
0ffedd3

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reform scaffold
9d1a2a5

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add notebooks
5225959

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add torch to requiremens
d72faca

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add alignn
eadac93

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add alignn
5b01054

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add equiformer, escn; add leaderboard
51cdd18

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add equiformer, escn; add leaderboard
221dfe3

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add mlip diatomic curves
d9ed521

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implement app scaffold, add diatomics visualization
034838c

cyrusyc commited on

implement app scaffold, add diatomics visualization
d7d26c2

cyrusyc commited on