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Official repository for the Boltz-1 biomolecular interaction model (alphafold3 equivalent open)

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

Pose checks for 3D Structure-based Drug Design methods

A pretty (simple) alternative to strace

Collection of tutorials to use the MACE machine learning force field.

Optimizing AlphaFold Training and Inference on GPU Clusters

Development repository for the Triton language and compiler

flash attention tutorial written in python, triton, cuda, cutlass

FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)

Implementation of paper - YOLOv7: Trainable bag-of-freebies sets new state-of-the-art for real-time object detectors

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LLM training in simple, raw C/CUDA

OCR and line detection in 90+ languages

Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

Public repo for HF blog posts

Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format

Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop)

Fast CUDA matrix multiplication from scratch

Elucidating the Design Space of Diffusion-Based Generative Models (EDM)

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Port of Facebook's LLaMA model in C/C++