explorer1212

explorer1212's Stars

• zaixizhang/FlexSBDD

  Implementation of NeurIPS24 paper "FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling"

  5

• baofff/U-ViT

  A PyTorch implementation of the paper "All are Worth Words: A ViT Backbone for Diffusion Models".

  Language:Jupyter Notebook95164

• qky18/Chinese-Philosophy-notes

  课程笔记

  5

• cch1999/posecheck

  Pose checks for 3D Structure-based Drug Design methods

  Language:Python769

• kaiwenxue0/Bayesian-Flow-Networks

  A simple implimentation of Bayesian Flow Networks (BFN)

  1

• nnaisense/bayesian-flow-networks

  This is the official code release for Bayesian Flow Networks.

  Language:Python26028

• ML-GSAI/BFN-Solver

  Official PyTorch implementation for "Unifying Bayesian Flow Networks and Diffusion Models through Stochastic Differential Equations"

  Language:Python332

• YangLing0818/Diffusion-Models-Papers-Survey-Taxonomy

  Diffusion model papers, survey, and taxonomy

  3.1k253

• AlgoMole/MolCRAFT

  Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"

  Language:Jupyter Notebook823

• zaixizhang/Awesome-SBDD

  Papers about Structure-based Drug Design (SBDD)

  918

• luost26/3D-Generative-SBDD

  💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)

  Language:Python18544

• divelab/GraphBP

  Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]

  Language:Python10624

• dair-ai/ml-visuals

  🎨 ML Visuals contains figures and templates which you can reuse and customize to improve your scientific writing.

  14k1.4k

• guanyingc/python_plot_utils

  A simple code for plotting figure, colorbar, and cropping with python

  Language:Python38749

• guanyingc/latex_paper_writing_tips

  Tips for Writing a Research Paper using LaTeX

  Language:TeX3.3k377

• guanjq/targetdiff

  The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)

  Language:Python22738

• openai/glow

  Code for reproducing results in "Glow: Generative Flow with Invertible 1x1 Convolutions"

  Language:Python3.1k518

• pengxingang/Pocket2Mol

  Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets

  Language:Python27672

• KindXiaoming/pykan

  Kolmogorov Arnold Networks

  Language:Jupyter Notebook15.3k1.4k

• Layne-Huang/PMDM

  Language:Python11423

• AlgoMole/MolFM

  Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"

  Language:Python301

• vgsatorras/egnn

  Language:Python45079

• zhangjunhd/reading-notes

  张俊的读书笔记

  Language:Jupyter Notebook331131

• AngxiaoYue/QMP

  A Plug-and-Play Quaternion Message-Passing Module for Molecular Conformation Representation

  Language:Python41

• ai-vip/stable-diffusion-tutorial

  全网最全Stable Diffusion全套教程，从入门到进阶，耗时三个月制作

  1.4k128

• dkoes/conformer_analysis

  Language:Jupyter Notebook141

• teslacool/UnifiedMolPretrain

  Unified 2D and 3D Pre-Training of Molecular Representations

  Language:Python297

• FutureXiang/ddae

  [ICCV 2023 Oral] Official Implementation of "Denoising Diffusion Autoencoders are Unified Self-supervised Learners"

  Language:Python1528

• Krasjet/quaternion

  A brief introduction to the quaternions and its applications in 3D geometry.

  Language:HTML1.8k274

• mli/paper-reading

  深度学习经典、新论文逐段精读

  27.7k2.5k