liyue9129

liyue9129's Stars

• Dao-AILab/flash-attention

  Fast and memory-efficient exact attention

  Language:Python13.6k1.2k

• aqlaboratory/rgn

  Recurrent Geometric Networks for end-to-end differentiable learning of protein structure

  Language:Python32687

• aqlaboratory/rgn2

  Language:Python10129

• getcursor/cursor

  The AI Code Editor

  23.9k1.5k

• aqlaboratory/openfold

  Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2

  Language:Python2.7k518

• EleutherAI/the-pile

  Language:Python1.5k128

• mims-harvard/TDC

  Therapeutics Commons (TDC-2): Multimodal Foundation for Therapeutic Science

  Language:Jupyter Notebook983173

• binary-husky/gpt_academic

  为GPT/GLM等LLM大语言模型提供实用化交互接口，特别优化论文阅读/润色/写作体验，模块化设计，支持自定义快捷按钮&函数插件，支持Python和C++等项目剖析&自译解功能，PDF/LaTex论文翻译&总结功能，支持并行问询多种LLM模型，支持chatglm3等本地模型。接入通义千问, deepseekcoder, 讯飞星火, 文心一言, llama2, rwkv, claude2, moss等。

  Language:Python64.5k8k

• chenzomi12/AISystem

  AISystem 主要是指AI系统，包括AI芯片、AI编译器、AI推理和训练框架等AI全栈底层技术

  Language:Jupyter Notebook10.6k1.5k

• google-deepmind/alphafold

  Open source code for AlphaFold.

  Language:Python12.3k2.2k

• oddt/oddt

  Open Drug Discovery Toolkit

  Language:Python412119

• Caiyun-AI/DCFormer

  Language:Python16713

• anton-bushuiev/PPIformer

  Learning to design protein-protein interactions with enhanced generalization (ICLR24)

  Language:Jupyter Notebook434

• MCompChem/fep-benchmark

  Benchmark set for relative free energy calculations.

  9231

• GraphMamba/GMN

  895

• e3nn/e3nn

  A modular framework for neural networks with Euclidean symmetry

  Language:Python948142

• FabianFuchsML/se3-transformer-public

  code for the SE3 Transformers paper: https://arxiv.org/abs/2006.10503

  Language:Python48667

• lucidrains/se3-transformer-pytorch

  Implementation of SE3-Transformers for Equivariant Self-Attention, in Pytorch. This specific repository is geared towards integration with eventual Alphafold2 replication.

  Language:Python25323

• google-research/tuning_playbook

  A playbook for systematically maximizing the performance of deep learning models.

  26.6k2.2k

• deepchem/deepchem

  Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

  Language:Python5.4k1.7k

• biopython/biopython

  Official git repository for Biopython (originally converted from CVS)

  Language:Python4.3k1.7k

• rdkit/rdkit

  The official sources for the RDKit library

  Language:HTML2.6k871

• THGLab/LP-PDBBind

  Language:Jupyter Notebook293

• QUVA-Lab/escnn

  Equivariant Steerable CNNs Library for Pytorch https://quva-lab.github.io/escnn/

  Language:Python35046

• Chen-Cai-OSU/awesome-equivariant-network

  Paper list for equivariant neural network

  984104

• lucidrains/VN-transformer

  A Transformer made of Rotation-equivariant Attention using Vector Neurons

  Language:Python814

• FlyingGiraffe/vnn

  Vector Neurons: A General Framework for SO(3)-Equivariant Networks

  Language:Python45247

• Wang-Lin-boop/CADD-Scripts

  Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta

  Language:Shell5520

• carbonsilicon-ai/CarsiDock

  Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training" proposed by CarbonSilicon AI.

  Language:Python667

• QizhiPei/FABind

  FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)

  Language:Python10615