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Pull requests: isayevlab/AIMNet2

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Pull requests list

implementation of get_dipole_moment() function in ase interface
#49 opened Jan 29, 2025 by cvmbb Loading…
Switch to numba kernels instead of torch_cluster
#39 opened Sep 11, 2024 by zubatyuk Loading…
Update README.md
#32 opened Aug 18, 2024 by dralgroup Loading…
2
Alternative neighborlists for big systems with PBCs
#31 opened Aug 14, 2024 by MorrowChem Loading…
2
Make installable
#18 opened Feb 1, 2024 by jthorton Loading…
3 tasks
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