Hugging Face's logo

Spaces:
atomind
/
mlip-arena
Running

App Files Community
1
mlip-arena / mlip_arena /tasks

Commit History

Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47)
419b35b
Running
unverified

Yuan (Cyrus) Chiang commited on

Add ANI2x (#48)
a952a33
unverified

Yuan (Cyrus) Chiang commited on

Add convenient ZBL torch calculator (#44)
7cc6c4a
unverified

Yuan (Cyrus) Chiang commited on

hotfix mattersim pickling issue; add phonon task (#42)
5716d3b
unverified

Yuan (Cyrus) Chiang commited on

propagate device setting to calculator
8cb1d3b

cyrusyc commited on

avoid hf loading tasks
a909029

cyrusyc commited on

promote tasks up to module level
8d70c47

cyrusyc commited on

more logger; fix relaxation filter
e80e29d

cyrusyc commited on

allow custom calculator with warning
cb1fb61

cyrusyc commited on

improve caching, unify calculator init
a787930

cyrusyc commited on

promote run deps, bump prefect and mace versions (#40)
ccfdb25
unverified

Yuan (Cyrus) Chiang commited on

convert `ResultRecord` to `result` if fetched from cache (#39)
00b56e2
unverified

Yuan (Cyrus) Chiang commited on

Add neb task (#38)
e59bc30
unverified

Yuan (Cyrus) Chiang commited on

Add elasticity task (#37)
587c7e5
unverified

Yuan (Cyrus) Chiang commited on

fine tune eos alloy flow
ef47233

cyrusyc commited on

change from future to state to avoid OOM error for single task
fca8b0e

cyrusyc commited on

Clean up `eos_alloy` (#36)
aadf5d0
unverified

Yuan (Cyrus) Chiang commited on

Allow fine grained intermediate cache for optimization in EOS task (#35)
b7a7786
unverified

Yuan (Cyrus) Chiang commited on

fix notebook
152c1b7

cyrusyc commited on

bugfix: variable should be s not state from outer scope
1cdbb3f

cyrusyc commited on

bugfix save_to_hdf
5f271cc

cyrusyc commited on

fix file base (#33)
84a2a83
unverified

Yuan (Cyrus) Chiang commited on

Add `ORBv2` hydrogen combustion result (#32)
a671cbd
unverified

Yuan (Cyrus) Chiang commited on

cleanup notebooks
1925de9

cyrusyc commited on

HT EOS workflow on alloy system; Add notebook comments (#30, #31)
2613ace
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 Mg-Mg
8e6b8f4

cyrusyc commited on

update P-P curve
841ed98

cyrusyc commited on

add mrore/update diatomics curves
8b028aa

cyrusyc commited on

clean up
5f29db9

cyrusyc commited on

Improve dependencies (#20)
b22d49d
unverified

Yuan (Cyrus) Chiang commited on

comment out unsupported models from registry
c1d2139

cyrusyc commited on

update wte
fff5e51

cyrusyc commited on

update wte table
831bd2c

cyrusyc commited on

Add ORB v2 (#18)
8396dce
unverified

Yuan (Cyrus) Chiang commited on

add thermal conductivity rank and page (#16)
c19aed5
unverified

Yuan (Cyrus) Chiang commited on

test md
4817e63

cyrusyc commited on

clearn up unused md; force to use the updated one
dd24ea1

cyrusyc commited on

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

cyrusyc commited on

minor cleanup
5b87ae4

cyrusyc commited on

add eos flow file
1e50f35

cyrusyc commited on

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

cyrusyc commited on

clean up and add copyright notice
2f7e23a

cyrusyc commited on

add sevennet stability json
6bc1d71

cyrusyc commited on

fix colormap not updating due to cache
bcf00b7

cyrusyc commited on