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FAIR-Chem
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fairchem
FAIR Chemistry's library of machine learning methods for chemistry
https://opencatalystproject.org/
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Update stress-relaxations branch
#749
zulissimeta
closed
1 day ago
0
Memory leak for s2ef tasks with otf_graph=True?
#748
theophilegervet
opened
5 days ago
1
Hide wandb.watch behind flag
#747
rayg1234
closed
5 days ago
1
Try removing importlib - breaks multiprocess pickling
#746
rayg1234
closed
6 days ago
1
pin ruff to 0.4.10
#745
rayg1234
closed
1 week ago
0
Pin ruff to 0.4.10
#744
rayg1234
closed
1 week ago
0
Run docs CI on every push to main
#743
zulissimeta
closed
1 week ago
0
lint/test/docs on PR and push to main
#742
lbluque
opened
1 week ago
2
Log num params to W&B
#741
rayg1234
closed
1 week ago
1
Equiformers2 Graph Parallel
#740
rayg1234
closed
5 days ago
2
no ASE version pin
#739
lbluque
closed
1 week ago
1
Enable github-actions tests for all PRs even external forks
#738
misko
closed
1 week ago
1
Config fix
#737
lbluque
closed
2 weeks ago
1
move ocpapi to integration tests
#736
rayg1234
closed
2 weeks ago
1
fix numpy to be under 2.0
#735
rayg1234
closed
2 weeks ago
0
Mistake - can delete
#734
vict0rsch
closed
2 weeks ago
1
Add option to launch distributed runs locally with >1 GPU
#733
rayg1234
closed
2 weeks ago
2
How to add a new model to fair-chem
#732
MSJavaScript
opened
2 weeks ago
2
No longer need to specify train dataset loader when predicting
#731
curtischong
closed
1 week ago
2
Numpy 2.0 breaks installation
#730
DipeshSomvanshi
closed
4 days ago
1
Bump numpy from 1.23.5 to 2.0.0
#729
dependabot[bot]
opened
2 weeks ago
1
Update adsorbml notebook
#728
brookwander
closed
3 weeks ago
2
Errors with ODAC23 EquiformerV2 models
#727
andreadaru
opened
3 weeks ago
2
update preprocess script
#726
mshuaibii
closed
3 weeks ago
0
Bump torch from 2.2.0 to 2.3.1
#725
dependabot[bot]
closed
1 week ago
1
calc compatability with new configs
#724
mshuaibii
closed
2 weeks ago
1
`OCPCalculator` not compatible with ocp 2.0 format configs
#723
EricZQu
closed
2 weeks ago
4
OCPCalculator to FAIRChemCalculator
#722
HabibOmar
opened
1 month ago
1
Rename OCPCalculator to FAIRChemCalculator or similar
#721
zulissimeta
opened
1 month ago
1
Bump ase from 3.22.1 to 3.23.0
#720
dependabot[bot]
closed
1 month ago
0
The use of pre-trained JMP models
#719
wakamiya0315
opened
1 month ago
1
Stress Relaxations
#718
lbluque
opened
1 month ago
1
support logger entity
#717
mshuaibii
closed
1 month ago
1
K-points clarification in DAC Vasp settings
#716
anuroopsriram
closed
1 month ago
1
(OTF) Normalization and element references
#715
lbluque
opened
1 month ago
1
Make relaxation data more general
#714
anuroopsriram
opened
1 month ago
1
fix odac data links
#713
mshuaibii
closed
1 month ago
0
fixing issue with one reaction
#712
brookwander
closed
1 month ago
2
Added a file demonstrating ODAC Vasp settings
#711
anuroopsriram
closed
1 month ago
0
adding seed to md tutorial and ipynb
#710
brookwander
closed
1 month ago
1
How to get the totale system energy of a "fairchem.data.oc.core.Slab" or "fairchem.data.oc.core.Adsorbate"
#709
GoosMulder
closed
1 month ago
2
Does ODAC use the same VASP settings as OC20?
#708
benrhodes26
closed
1 month ago
2
Bump requests from 2.31.0 to 2.32.0 in /packages/fairchem-demo-ocpapi
#707
dependabot[bot]
closed
1 month ago
0
doc exec auto
#706
lbluque
closed
1 month ago
1
update install instructions
#705
misko
closed
1 month ago
1
Fix doc install typos
#704
lbluque
closed
1 month ago
0
cleanup amp warning
#703
mshuaibii
closed
1 month ago
1
update install instructions
#702
lbluque
closed
1 month ago
1
reorganize toc
#701
mshuaibii
closed
1 month ago
1
fixing summary fig and dissociation scheme fig in the gitbook
#700
brookwander
closed
1 month ago
1
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