Owner

NVIDIA-BioNeMo

8 indexed repositories · View on GitHub

• bionemo-recipes

  BioNeMo Recipes: For building and adapting AI models in drug discovery at scale

  Python · 857 stars

• bionemo-agent-toolkit

  Turn any agent into a life science expert with NVIDIA BioNeMo skills.

  Python · 462 stars

• Proteina-Complexa

  Generative model for protein binder design for protein and small molecule targets. Combines a pretrained flow-based generative model (bui...

  Python · 432 stars

• nvMolKit

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

  Cuda · 276 stars

• KERMT

  KERMT is a pretrained graph neural network model for molecular property prediction.

  Python · 99 stars

• BioNeMo-Inference-Runtime

  Easy, fast, and memory-efficient structure prediction inference

  Python · 60 stars

• boltz-cp

  Context Parallelism Code for Boltz-2

  Python · 59 stars

• cuik-molmaker

  cuik-molmaker is a specialized package designed for molecular featurization, converting chemical structures into formats that can be effe...

  C++ · 36 stars