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Pull requests: NVIDIA/nvalchemi-toolkit-ops

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Pull requests list

perf(neighbors): tile partial naive neighbor lists
#134 opened Jul 24, 2026 by zubatyuk Collaborator Loading…
12 of 15 tasks
2
fix(electrostatics): compile explicit single-system batches
#133 opened Jul 24, 2026 by zubatyuk Collaborator Loading…
9 of 15 tasks
8
fix(electrostatics): avoid per-system backward recomputation
#132 opened Jul 23, 2026 by zubatyuk Collaborator Loading…
12 of 15 tasks
5
fix(electrostatics): dechain dependent autograd inputs
#131 opened Jul 22, 2026 by zubatyuk Collaborator Loading…
8 of 15 tasks
2
refactor(neighbors): centralize JAX registration
#130 opened Jul 22, 2026 by zubatyuk Collaborator Loading…
9 of 15 tasks
5
fix(neighbors): derive JAX search radius from realized grids
#129 opened Jul 21, 2026 by zubatyuk Collaborator Loading…
9 of 15 tasks
1
4
fix(neighbors): support method auto alias
#109 opened Jun 15, 2026 by zubatyuk Collaborator Loading…
7 of 15 tasks
2
Dispersion PME with improvements
#89 opened May 30, 2026 by samarjeet Contributor Loading…
5 tasks
5
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