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Starred repositories

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LaTeX template for theses and dissertations.

TeX 28 27 Updated Nov 4, 2026

A standardized protein design benchmark for motif-scaffolding problems

Jupyter Notebook 84 3 Updated Nov 10, 2026

Hyperbolic LigUnity with dual entailment

Python 1 Updated Jan 23, 2026

Tutorial for UIUC NCSA Cluster

Shell 7 Updated Apr 11, 2026

Let us control diffusion models!

Python 34,155 3,009 Updated Feb 25, 2024

Protein structure diffusion model for unconditional protein generation and motif scaffolding

Python 195 34 Updated Jun 24, 2024

Official Repository for the Uni-Mol Series Methods

Python 1,178 183 Updated May 29, 2025
Python 15 Updated Jun 24, 2025

Composable, accessible components with thoughtful defaults. Build your own component library with code you can customize, extend, and make your own.

TypeScript 127,947 11,354 Updated Nov 11, 2026

Proteina is a new large-scale flow-based protein backbone generator that utilizes hierarchical fold class labels for conditioning and relies on a tailored scalable transformer architecture.

Python 281 42 Updated Jul 24, 2025

Public Implementation of ChIRo from "Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations"

Python 57 11 Updated Oct 20, 2021
HTML 1 Updated Nov 11, 2025
Python 115 5 Updated Jul 24, 2025

[ICCV 2025] Official Implementation of Contrastive Flow Matching

Jupyter Notebook 186 2 Updated Jun 25, 2025

A refined evaluation pipeline for 3D molecular generative models trained on GEOM-Drugs.

Python 16 3 Updated Sep 10, 2025

[NeurIPS 2024 Best Paper Award][GPT beats diffusion🔥] [scaling laws in visual generation📈] Official impl. of "Visual Autoregressive Modeling: Scalable Image Generation via Next-Scale Prediction". A…

Jupyter Notebook 8,769 574 Updated Nov 10, 2025
Python 30 1 Updated Apr 23, 2025

Official implementation for LigUnity: Hierarchical affinity landscape navigation through learning a shared pocket-ligand space.

Python 64 9 Updated Mar 30, 2026

(ACL 2025 Main) Code for MultiAgentBench : Evaluating the Collaboration and Competition of LLM agents https://www.arxiv.org/pdf/2503.01935

Python 317 56 Updated Oct 27, 2025

Simple framework for ML research

Python 7 3 Updated Apr 29, 2026
Python 22 2 Updated May 11, 2026

GPT Meet Zotero.

TypeScript 7,520 315 Updated Oct 29, 2026

This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).

Python 52 4 Updated Jul 4, 2025

Search-R1: An Efficient, Scalable RL Training Framework for Reasoning & Search Engine Calling interleaved LLM based on veRL

Python 5,575 504 Updated Nov 13, 2025

Code for running RFdiffusion

Python 3,136 657 Updated Oct 28, 2026

User friendly and accurate binder design pipeline

Jupyter Notebook 1,266 285 Updated Sep 21, 2026

Benchmarks for generative chemistry

Python 537 101 Updated Feb 11, 2024
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