Commit History

test md
bd7f7a5

cyrusyc commited on

clearn up unused md; force to use the updated one
a04bdc1

cyrusyc commited on

Add `eqV2_86M_omat_mp_salex` model (#14)
a133fcb

Yuan (Cyrus) Chiang commited on

update gitignore
9e50e0c

cyrusyc commited on

add eos notebook
39c15eb

cyrusyc commited on

minor cleanup
51f822b

cyrusyc commited on

add eos flow file
11fed6d

cyrusyc commited on

add relax task, eos workflow, and prefect test
9241861

cyrusyc commited on

clean up and add copyright notice
6516b1b

cyrusyc commited on

add sevennet stability json
2346013

cyrusyc commited on

fix colormap not updating due to cache
7e92d80

cyrusyc commited on

remove python3.9 test; update st pages
5ccbffc

cyrusyc commited on

longer combustion trajs, add energy change, reaction energy
b86dbc7

cyrusyc commited on

some minor cleanup and test
a959782

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

avoid prefect dependency on hf
921abc5

cyrusyc commited on

add eSCN; refactor app.py
5fe6cc0

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 orb model to diatomic tasks
537f9b2

cyrusyc commited on

add release workflow
778f981

cyrusyc commited on

fix typo; add diatomic, combustion notebooks
ffd09d9

cyrusyc commited on

add combustion MD runtime speed
34fa973

cyrusyc commited on

update model tasks in registry
6951d6d

cyrusyc commited on

update combustion
55346d5

cyrusyc commited on

add sevennet diatomic json
26825da

cyrusyc commited on

add warning pre-alpha message, add equiformer-oc20
558b4d7

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 md step bar charts
2e5c86d

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

add task `stability` and md run script
0057748

cyrusyc commited on

reform scaffold
bc51634

cyrusyc commited on

add notebooks
a709b13

cyrusyc commited on

add alignn
e85b0ff

cyrusyc commited on

add alignn
5f78296

cyrusyc commited on

add equiformer, escn; add leaderboard
2eb6d78

cyrusyc commited on

add equiformer, escn; add leaderboard
49cde4e

cyrusyc commited on

add mlip diatomic curves
18cbfe7

cyrusyc commited on

implement app scaffold, add diatomics visualization
062f2c3

cyrusyc commited on

implement app scaffold, add diatomics visualization
733eade

cyrusyc commited on

page configurations
c162771

cyrusyc commited on

updates before modification
5f464b3

cyrusyc commited on

improve class defintion and new task
d98d701

cyrusyc commited on

add jobs tasks
fa55745

cyrusyc commited on

update
c440125

cyrusyc commited on