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Pull requests: isayevlab/aimnetcentral

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Pull requests list

Bump ase from 3.27.0 to 3.28.0
#47 opened Mar 23, 2026 by dependabot bot Loading…
1
Add TorchSim calculator
#46 opened Mar 19, 2026 by cfarm6 Loading…
Bump actions/checkout from 4 to 6
#42 opened Mar 1, 2026 by dependabot bot Loading…
1
feat: Add torch.compile with CUDA graphs support for ~5x MD speedup
#29 opened Dec 16, 2025 by isayev Loading…
2 of 4 tasks
1
enable torch compile with cudagraphs
#20 opened Nov 11, 2025 by sef43 Loading…
1
add rocm pipeline
#8 opened May 13, 2025 by AlbertThie Loading…
1
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