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Pull requests: FAIR-Chem/fairchem

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Pull requests list

Create a issue template for bugs enhancement New feature or request patch Patch version release
#912 opened Nov 12, 2024 by misko Loading…
3
Add DGL to conda installer enhancement New feature or request minor Minor version release
#911 opened Nov 12, 2024 by misko Loading…
3
add ema to BaseTrainer init bug Something isn't working patch Patch version release
#909 opened Nov 10, 2024 by IliasChair Loading…
1
Bump numpy from 1.26.4 to 2.1.3 dependencies Pull requests that update a dependency file major Major / breaking version release python Pull requests that update Python code
#906 opened Nov 4, 2024 by dependabot bot Loading…
Bump torch from 2.4.1 to 2.5.1 dependencies Pull requests that update a dependency file minor Minor version release python Pull requests that update Python code
#905 opened Nov 4, 2024 by dependabot bot Loading…
Fix edge_rot_mat enhancement New feature or request minor Minor version release
#895 opened Oct 25, 2024 by misko Loading…
1
Add wandb logger init to hydra runners enhancement New feature or request minor Minor version release
#894 opened Oct 24, 2024 by rayg1234 Loading…
5
Update ODAC model checkpoints documentation Improvements or additions to documentation minor Minor version release
#893 opened Oct 24, 2024 by anuroopsriram Loading…
1
EquiformerV2 + DeNS model and trainer enhancement New feature or request patch Patch version release
#880 opened Oct 18, 2024 by kyonofx Loading…
22
add timing to test stale
#872 opened Oct 8, 2024 by misko Loading…
2
move escn to deprecated deprecation Code deprecation patch Patch version release stale
#851 opened Sep 12, 2024 by misko Loading…
6
Move from torch.cuda.amp to torch.autocast; Add tests for amp enhancement New feature or request patch Patch version release
#838 opened Sep 9, 2024 by misko Loading…
19
add better solvent placement logic enhancement New feature or request patch Patch version release
#835 opened Sep 6, 2024 by mshuaibii Loading…
6
EquiformerV2 fails rotational equivariance test patch Patch version release test unit tests
#823 opened Aug 25, 2024 by curtischong Loading…
6
add option to clip grad by value enhancement New feature or request patch Patch version release
#810 opened Aug 14, 2024 by misko Loading…
4
OCPCalculator to FAIRChemCalculator dont-close
#722 opened Jun 4, 2024 by HabibOmar Loading…
5
OptimizableBatch and stress relaxations enhancement New feature or request minor Minor version release
#718 opened May 28, 2024 by lbluque Loading…
5 tasks done
24
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