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Purdue University
- West Lafayette
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09:18
(UTC -04:00) - https://www.shuli.me
- https://orcid.org/0000-0003-4667-6164
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Colab Notebooks covering deep learning tools for biomolecular structure prediction and design
Official implementation of All Atom Diffusion Transformers (ICML 2025)
OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.
Erwin: A Tree-based Hierarchical Transformer for Large-scale Physical Systems [ICML'25]
Official code repository of < CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph >
An animation engine implemented in rust, inspired by manim and JAnim
Distributed Triton for Parallel Systems
AI-powered ab initio biomolecular dynamics simulation
FAIR Chemistry's library of machine learning methods for chemistry
Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 oral]
Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
Domain-specific language designed to streamline the development of high-performance GPU/CPU/Accelerators kernels
A comprehensive benchmark on the performances of multiple protein backbone generative models.
rigdenlab / ABCFold
Forked from hlasimpk/af3_mmseqs_scriptsScripts to run AlphaFold3, Boltz-1 and Chai-1 with MMseqs2 MSAs and custom templates.
🍒 Cherry Studio is a desktop client that supports for multiple LLM providers.
FlagGems is an operator library for large language models implemented in the Triton Language.
📦 Repomix is a powerful tool that packs your entire repository into a single, AI-friendly file. Perfect for when you need to feed your codebase to Large Language Models (LLMs) or other AI tools lik…
A curated collection of resources, tutorials, and best practices for learning and mastering NVIDIA CUTLASS
PyTorch implementation of FractalGen https://arxiv.org/abs/2502.17437
KernelBench: Can LLMs Write GPU Kernels? - Benchmark with Torch -> CUDA problems
[NeurIPS 2024] Direct3D: Scalable Image-to-3D Generation via 3D Latent Diffusion Transformer
Give Cursor Agent an AI Team and Advanced Skills
D2 is a modern diagram scripting language that turns text to diagrams.