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orbital-materials
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orb-models
ORB forcefield models from Orbital Materials
Apache License 2.0
190
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22
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Fix `ase_atoms_to_atom_graphs` not respecting given flag for graph computation and add device parameter to graph computation functions.
#35
nimashoghi
opened
3 days ago
0
Widom Insertion Method Example
#34
cfarm6
opened
4 days ago
0
add more details about the orb_v2 models
#33
zdcao121
closed
1 week ago
2
Reading latest checkpoint during fine-tuning
#32
R1j1t
closed
2 weeks ago
1
apache-2 license
#31
DeNeutoy
closed
3 weeks ago
0
Add net torque removal
#30
DeNeutoy
closed
3 weeks ago
0
Finetuning improvements
#29
benrhodes26
closed
3 weeks ago
0
Remove net torque
#28
benrhodes26
closed
3 weeks ago
0
Orb v2 models
#27
DeNeutoy
closed
3 weeks ago
1
Fix readme
#26
benrhodes26
closed
1 month ago
0
Example on README does not run on pip package
#25
Carlomus
closed
1 month ago
1
remove_mean fix and add tests
#24
zhiyil1230
closed
1 month ago
0
Model architecture modification
#23
zhiyil1230
closed
1 month ago
2
RuntimeError: scatter(): Expected dtype int64 for index
#22
dnlkch
closed
1 month ago
4
Bump Discord Link
#21
stevenkbennett
closed
1 month ago
0
[Question] Discord Channel invalid
#20
QuantumMisaka
closed
1 month ago
1
orb_v1() got an unexpected keyword argument 'device'
#19
wuziqiqiqi
closed
1 month ago
2
`cache_path` will lock the file, leading to race condition when running parallel jobs
#18
chiang-yuan
closed
1 month ago
2
Fix device issue
#17
benrhodes26
closed
2 months ago
0
used tag name not release name
#16
Arthurhussey
closed
2 months ago
0
Invalid Keyword Argument
#15
stefanbringuier
closed
1 month ago
2
Inconsistent Device Error
#14
stefanbringuier
closed
1 month ago
2
Finetune script
#13
zhiyil1230
closed
1 month ago
1
made package version dyanmic
#12
Arthurhussey
closed
2 months ago
0
v0.3.1 not on PyPI
#11
AntObi
closed
2 months ago
0
`orb_v1` doesn't take `device` kwarg
#10
CompRhys
closed
2 months ago
2
Small clarifications to readme
#9
benrhodes26
closed
2 months ago
0
Fixes on device inconistency, brute_force featurization etc.
#8
zhiyil1230
closed
2 months ago
1
Performing slab calculations
#7
tomdemeyere
closed
4 weeks ago
6
added code owners file
#6
Arthurhussey
closed
2 months ago
0
Pynanoflann in `pyproject.toml`
#5
AntObi
closed
2 months ago
1
Use correct device, precision and inference mode
#4
benrhodes26
closed
2 months ago
0
ASE in `pyproject.toml`
#3
Andrew-S-Rosen
closed
2 months ago
3
updated the logo, license info address and added discord link
#2
Arthurhussey
closed
2 months ago
1
Todos
#1
benrhodes26
closed
2 months ago
0