orgw

orgw's Stars

• AlgoMole/MolCRAFT

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

  Language:Jupyter Notebook293

• oxpig/MolSnapper

  121

• quantumiracle/Consistency_Model_For_Reinforcement_Learning

  Official implementation for: Consistency Models as a Rich and Efficient Policy Class for Reinforcement Learning ICLR'24

  Language:Python20

• datamol-io/safe

  A single model for all your molecular design tasks

  Language:Python646

• YangLing0818/IPDiff

  [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models

  Language:Python161

• zaixizhang/DrugGPS_ICML23

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

  Language:Python212

• SalesforceAIResearch/DiffusionDPO

  Code for "Diffusion Model Alignment Using Direct Preference Optimization"

  Language:Python16315

• CRISTAL-3DSAM/BiGraphDiff

  Coming soon

  Language:Python2

• dl0312/open-apis-korea

  🇰🇷 한국어 사용자를 위한 서비스에 사용하기 위한 오픈 API 모음

  Language:Python2.9k315

• qiangbo1222/Uni-RXN-official

  Language:Jupyter Notebook201

• Thomasjurriaans/markush-recognition-msc-thesis

  Master's thesis on recognizing Markush structures in chemical images, done at Elsevier and the University of Amsterdam.

  Language:Jupyter Notebook41

• bytedance/DecompDiff

  The official implementation of DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design (ICML 2023)

  Language:Python403

• learningmatter-mit/PatentChem

  Downloads USPTO patents and finds molecules related to keyword queries

  Language:Python363

• AspirinCode/papers-for-molecular-design-using-DL

  List of molecular design using Generative AI and Deep Learning

  57284

• MinkaiXu/GeoLDM

  Geometric Latent Diffusion Models for 3D Molecule Generation

  Language:Python17834

• MorganCThomas/MolScore

  An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design

  Language:Python11619

• NVlabs/RetMol

  A new retrieval-based framework for controllable molecule generation.

  Language:Python433

• BioinfoMachineLearning/bio-diffusion

  A geometry-complete diffusion generative model (GCDM) for 3D molecule generation and optimization

  Language:Python10911

• guanjq/targetdiff

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

  Language:Python18431

• CompVis/latent-diffusion

  High-Resolution Image Synthesis with Latent Diffusion Models

  Language:Jupyter Notebook11k1.4k

• microsoft/VQ-Diffusion

  Official implementation of VQ-Diffusion

  Language:Python85863

• dptech-corp/Uni-Mol

  Official Repository for the Uni-Mol Series Methods

  Language:Python598109

• nv-tlabs/LION

  Latent Point Diffusion Models for 3D Shape Generation

  Language:Python72252

• gcorso/DiffDock

  Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

  Language:Python972238

• isayevlab/rl_experiments

  Language:Python64

• arneschneuing/DiffSBDD

  A Euclidean diffusion model for structure-based drug design.

  Language:Python29766

• igashov/DiffLinker

  DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design

  Language:Python26940

• gcorso/torsional-diffusion

  Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)

  Language:Python24543

• diff-usion/Awesome-Diffusion-Models

  A collection of resources and papers on Diffusion Models

  Language:HTML10.4k901

• subbarayudu-j/TheAlgorithms-Python

  TheAlgorithms/Python

  Language:Python2.8k587