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NVIDIA-BioNeMo/nvMolKit

A high-performance, GPU-accelerated library for key computational chemistry tasks, such as molecular similarity, conformer generation, and geometry relaxation.

Owner: NVIDIA-BioNeMo (organization)
Stars: Stars: 282
Forks: Forks: 29
Language: Cuda
License: None
Created: 2025
Tier: Alpha (250 to 699 ★) What this tier means

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