RNA, mRNA, DNA, Peptide, Protein, Antibody and Complex | Folding

Implementation for SE(3) diffusion model with application to protein backbone generation

Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)

Aligning protein generative models with experimental fitness

Implementation of Alphafold 3 in Pytorch

Official repository for Target-Specific De Novo Peptide Binder Design with DiffPepBuilder

Official Implementation of "D4Explainer: In-Distribution GNN Explanations via Discrete Denoising Diffusion"

Official code of "Towards Multi-Grained Explainability for Graph Neural Networks" (NeurIPS 2021) + Pytorch Implementation of recent attribution methods for GNNs

Fast protein backbone generation with SE(3) flow matching.

RNAFlow: RNA Structure & Sequence Design via Inverse Folding-Based Flow Matching

GearNet and Geometric Pretraining Methods for Protein Structure Representation Learning, ICLR'2023 (https://arxiv.org/abs/2203.06125)

Geometric GNN Dojo provides unified implementations and experiments to explore the design space of Geometric Graph Neural Networks.

Genetic Algorithm, Particle Swarm Optimization, Simulated Annealing, Ant Colony Optimization Algorithm,Immune Algorithm, Artificial Fish Swarm Algorithm, Differential Evolution and TSP(Traveling sa…

ISMB-24/Bioinformatics: Tertiary Structure-based RNA Inverse Folding with Generative Diffusion Models

Improved antibody structure-based design using inverse folding

A hybrid pipeline to screen compounds with DrugCLIP and Schrodinger

FOST is a general forecasting tool, which demonstrate our experience and advanced technology in practical forecasting domains, including temporal, spatial-temporal and hierarchical forecasting. Cur…

Uni-Dock: a GPU-accelerated molecular docking program

Artificial Intelligence Research for Science (AIRS)

[ICLR 2023] Learnable Randomness Injection (LRI) for interpretable Geometric Deep Learning.

RNA foundation model

[ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"

Code of a structure-enhanced RNA language model named ERNIE-RNA

GNN approach to face with the problem of siRNA-mRNA efficacy prediction

[IJCAI 2023 survey track]A curated list of resources for chemical pre-trained models

《Hello 算法》：动画图解、一键运行的数据结构与算法教程。支持 Python, Java, C++, C, C#, JS, Go, Swift, Rust, Ruby, Kotlin, TS, Dart 代码。简体版和繁体版同步更新，English version ongoing

AlphaFold Meets Flow Matching for Generating Protein Ensembles

🔧rna-tools: a toolbox to analyze sequences, structures and simulations of RNA (and more) used by RNA CASP, RNA PUZZLES, and me ;-) docs @ http:https://rna-tools.rtfd.io web @ http:https://rna-tools.online