githubXin123

githubXin123's Stars

• 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:Python65.7k2771.6k8.1k

• LiLittleCat/awesome-free-chatgpt

  🆓免费的 ChatGPT 镜像网站列表，持续更新。List of free ChatGPT mirror sites, continuously updated.

  Language:Python18.5k1427881.3k

• facebookresearch/esm

  Evolutionary Scale Modeling (esm): Pretrained language models for proteins

  Language:Python3.3k65320642

• dengjianyuan/Survey_AI_Drug_Discovery

  31420163

• ur-whitelab/exmol

  Explainer for black box models that predict molecule properties

  Language:Jupyter Notebook28786942

• pengxingang/Pocket2Mol

  Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets

  Language:Python26694073

• lsj2408/Transformer-M

  [ICLR 2023] One Transformer Can Understand Both 2D & 3D Molecular Data (official implementation)

  Language:Python20362123

• molML/MoleculeACE

  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models

  Language:Python16731020

• DeepChainBio/bio-transformers

  bio-transformers is a wrapper on top of the ESM/Protbert model, trained on millions on proteins and used to predict embeddings.

  Language:Python14582731

• samsledje/ConPLex

  Adapting protein language models and contrastive learning for highly-accurate drug-target interaction prediction.

  Language:Python12441533

• CDDLeiden/DrugEx

  De Novo Drug Design with RNNs and Transformers

  Language:Jupyter Notebook1194816

• prokia/drugVQA

  Predicting Drug Protein Interaction using Quasi-Visual Question Answering System

  Language:Python10941038

• peizhenbai/DrugBAN

  Interpretable bilinear attention network with domain adaptation improves drug-target prediction.

  Language:Python10521515

• sanku-lib/image_triplet_loss

  Image similarity using Triplet Loss

  Language:Jupyter Notebook1026547

• lishuya17/MONN

  MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Proteins

  Language:Python10061032

• flatkinson/standardiser

  Molecular standardisation tool

  Language:Jupyter Notebook75101030

• bowen-gao/DrugCLIP

  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening

  Language:Python694156

• jcchan23/GraphSol

  Code of our JC paper: "Structure-aware protein solubility prediction from sequence through graph convolutional network and predicted contact map"

  Language:Python6811716

• HaotianZhangAI4Science/SurfGen

  SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation

  Language:Python5811312

• samsledje/ConPLex_dev

  Language:Jupyter Notebook444517

• Brian-hongyan/3D-MCTS

  3D-MCTS: A general structure-based molecule generation method with MCTS.

  Language:Python39344

• Computer-Aided-Drug-Design/CADD-tutorial

  CADD（计算机辅助药物设计）学习资料

  391011

• admislf/MINN-DTI

  Effective drug-target interaction prediction with mutual interaction neural network

  Language:Python302211

• GRAPH-0/CDGS

  Conditional Diffusion Based on Discrete Graph Structures for Molecular Graph Generation

  Language:Python30223

• zaixizhang/DrugGPS_ICML23

  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"

  Language:Python28462

• agave233/GeomGCL

  Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".

  17162

• shenwanxiang/ACANet

  Contrastive learning of structure-activity relationship

  Language:Jupyter Notebook10303

• Chenjxjx/drug-target-prediction

  Language:Python43

• fanxiaoyu0/GEM

  Language:Python4122

• ayujain04/HERALD

  HERALD: HypERgraph representation learning based formuLAtion of Drug repurposing targets.

  10