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Pull requests: NVIDIA-Digital-Bio/nvMolKit

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Pull requests list

Add conformer RMSD docs and fix MMFF benchmark build after API change
#126 opened Apr 1, 2026 by evasnow1992 Loading…
1
WIP: Add fused Butina clustering with Triton similarity kernels
#125 opened Mar 31, 2026 by moradza Loading…
14
Add custom options for MMFF optimization
#124 opened Mar 31, 2026 by scal444 Loading…
5
Add UFF forcefield C++ implementation
#123 opened Mar 31, 2026 by scal444 Loading…
7
Auto format copyright and add linter
#121 opened Mar 25, 2026 by scal444 Loading…
8
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