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Colab Notebooks covering deep learning tools for biomolecular structure prediction and design

Jupyter Notebook 385 58 Updated Apr 3, 2025

Official implementation of All Atom Diffusion Transformers (ICML 2025)

Python 198 20 Updated May 12, 2025

Spatial Sparse Convolution Library

Python 2,043 381 Updated Dec 15, 2024

OpenEquivariance: a fast, open-source GPU JIT kernel generator for the Clebsch-Gordon Tensor Product.

Python 57 4 Updated May 15, 2025

Erwin: A Tree-based Hierarchical Transformer for Large-scale Physical Systems [ICML'25]

Python 52 8 Updated May 8, 2025
Python 5 1 Updated Apr 13, 2025
Python 18 2 Updated Apr 29, 2025

Rust based package manager for macOS

Rust 1,825 18 Updated May 18, 2025

Official code repository of < CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph >

Python 284 34 Updated Mar 27, 2025

An animation engine implemented in rust, inspired by manim and JAnim

Rust 406 24 Updated May 18, 2025

Public Release of ProGen3 family of Models

Python 62 8 Updated Apr 25, 2025

Distributed Triton for Parallel Systems

Python 727 44 Updated May 19, 2025

GitHub's official MCP Server

Go 13,854 852 Updated May 19, 2025

AI-powered ab initio biomolecular dynamics simulation

Python 502 65 Updated Feb 18, 2025

FAIR Chemistry's library of machine learning methods for chemistry

Python 1,377 313 Updated May 19, 2025

Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 oral]

Python 64 4 Updated Apr 20, 2025

Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"

Python 64 7 Updated Dec 6, 2024

Domain-specific language designed to streamline the development of high-performance GPU/CPU/Accelerators kernels

C++ 1,179 89 Updated May 18, 2025

A comprehensive benchmark on the performances of multiple protein backbone generative models.

Python 55 10 Updated Apr 20, 2025

Scripts to run AlphaFold3, Boltz-1 and Chai-1 with MMseqs2 MSAs and custom templates.

HTML 70 11 Updated May 16, 2025

🍒 Cherry Studio is a desktop client that supports for multiple LLM providers.

TypeScript 26,657 2,284 Updated May 19, 2025

FlagGems is an operator library for large language models implemented in the Triton Language.

Python 538 94 Updated May 19, 2025

📦 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…

TypeScript 16,006 695 Updated May 19, 2025

A curated collection of resources, tutorials, and best practices for learning and mastering NVIDIA CUTLASS

174 6 Updated May 6, 2025

PyTorch implementation of FractalGen https://arxiv.org/abs/2502.17437

Python 1,102 59 Updated Feb 25, 2025

KernelBench: Can LLMs Write GPU Kernels? - Benchmark with Torch -> CUDA problems

Python 330 34 Updated May 10, 2025

[NeurIPS 2024] Direct3D: Scalable Image-to-3D Generation via 3D Latent Diffusion Transformer

Python 174 8 Updated Feb 11, 2025

Give Cursor Agent an AI Team and Advanced Skills

TypeScript 3,929 197 Updated May 19, 2025
Python 6 Updated Aug 31, 2024

D2 is a modern diagram scripting language that turns text to diagrams.

JavaScript 20,591 542 Updated May 15, 2025
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