Commit History

Add Widom insertion (#34)
072f65e

Yuan (Cyrus) Chiang hspark1212 commited on

Add external pages (#54)
081cfa7

Yuan (Cyrus) Chiang commited on

Major cleanup (#51)
39b1d6f

Yuan (Cyrus) Chiang commited on

Add ANI2x (#48)
6415e15

Yuan (Cyrus) Chiang commited on

add mac installation script and quickstart MD example (#45)
f2bdc22

Yuan (Cyrus) Chiang commited on

fix deps for streamlit hf page
17c5f78

cyrusyc commited on

move imports into calculators
dad15cc

cyrusyc commited on

move `collate_fn` inside calcaultor
e011e40

cyrusyc commited on

Add convenient ZBL torch calculator (#44)
c7442c5

Yuan (Cyrus) Chiang commited on

hotfix mattersim pickling issue; add phonon task (#42)
54047c6

Yuan (Cyrus) Chiang commited on

more logger; fix relaxation filter
df7cf57

cyrusyc commited on

improve caching, unify calculator init
50064b5

cyrusyc commited on

Add `ORBv2` hydrogen combustion result (#32)
f30c863

Yuan (Cyrus) Chiang commited on

High-throughput EOS flow on alloy systems (#30)
80f7283

Yuan (Cyrus) Chiang commited on

Add MatterSim (#25)
fb5d76b

Yuan (Cyrus) Chiang commited on

comment out unsupported models from registry
ebec9a9

cyrusyc commited on

Add ORB v2 (#18)
ab51d62

Yuan (Cyrus) Chiang commited on

add thermal conductivity rank and page (#16)
3246b20

Yuan (Cyrus) Chiang commited on

update readme
9c10f0e

cyrusyc commited on

Feat: add DeepMD pretrain model (#12)
bd21e32

Anyang Peng cyrusyc commited on

add version tag
4405eb7

cyrusyc commited on

update visual; add captions
15758e4

cyrusyc commited on

update version
49fb85f

cyrusyc commited on

Add `eqV2_86M_omat_mp_salex` model (#14)
a133fcb

Yuan (Cyrus) Chiang commited on

restrict mace version, update eos test
b6e35d7

cyrusyc commited on

add cache for stability page
1240778

cyrusyc commited on

remove python3.9 test; update st pages
5ccbffc

cyrusyc commited on

Add COM drift for combustion (#10)
189176d

Yuan (Cyrus) Chiang commited on

add combustion results; design rank import mechanism
623f47a

cyrusyc commited on

Add calculator test (#6)
4b67e6c

Yuan (Cyrus) Chiang commited on

update external calculator classes; update diatomic curves
3dd6c96

cyrusyc commited on

add package and ckpt info
5de4c08

cyrusyc commited on

add orb model to diatomic tasks
537f9b2

cyrusyc commited on

add combustion MD runtime speed
34fa973

cyrusyc commited on

update model metadata
fcaf71c

cyrusyc commited on

update model tasks in registry
6951d6d

cyrusyc commited on

update combustion
55346d5

cyrusyc commited on

update leaderboard
3c32d85

cyrusyc commited on

add EquiformerV2 OC20 ckpt
c7872d3

cyrusyc commited on

add m3gnet diatomic task
96613fa

cyrusyc commited on

add combustion page
2100e49

cyrusyc commited on

improve stability visualization; update leaderborad
1485b15

cyrusyc commited on

add stability data, update page
e517f23

cyrusyc commited on

update ptable, add statbility, update pyproject.toml
1fe249a

cyrusyc commited on

refactor external calculators; better handle devices
5d9e01e

cyrusyc commited on

reform scaffold
bc51634

cyrusyc commited on

add torch to requiremens
df95987

cyrusyc commited on

add alignn
5f78296

cyrusyc commited on

add equiformer, escn; add leaderboard
49cde4e

cyrusyc commited on

add mlip diatomic curves
18cbfe7

cyrusyc commited on