Starred repositories
Interactive Python notebooks for PDBe API training
A fully open source biomolecular structure prediction model based on AlphaFold3
Python package built to ease deep learning on graph, on top of existing DL frameworks.
My learning notes for ML SYS.
GEM: 3D Gaussian Splatting for Efficient and Accurate Cryo-EM Reconstruction
Helpful kernel tutorials and examples for tile-based GPU programming
cuTile is a programming model for writing parallel kernels for NVIDIA GPUs
A Python Module implemented for the Vina suite of molecular docking software.
Vina-CUDA: further accelerating Autodock Vina with in-depth utilization of GPU hardware characteristics
Highly parallel molecular docking pipeline using Vina-GPU (dockerized) + AutoDock Vina CPU
Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening
PyTorch Extension Library of Optimized Scatter Operations
Multi-domain Distribution Learning for De Novo Drug Design
Analyzing Hacker News discussions from a decade ago in hindsight with LLMs
Profiling with NVIDIA Nsight Tools Bootcamp
This material contains content on how to profile and optimize simple Pytorch mnist code using NVIDIA Nsight Systems and Pytorch Profiler
Efficient Distributed GPU Programming for Exascale, an SC/ISC Tutorial
A Plugin-Based Multi-Agent System for In-Editor Academic Writing, Review, and Editing
Protein Ligand INteraction Dataset and Evaluation Resource
Official implementation of "Fast-dLLM: Training-free Acceleration of Diffusion LLM by Enabling KV Cache and Parallel Decoding"
deep learning from scratch. uses numpy/cupy, trains in GPU, follows pytorch API
Provide Python access to the NVML library for GPU diagnostics
Build and run containers leveraging NVIDIA GPUs