fengshikun / Frad

Related projects ⓘ

Alternatives and complementary repositories for Frad

• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆40Updated 3 months ago
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆69Updated 6 months ago
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆87Updated last year
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆42Updated last year
• jiaor17 / 3D-EMGP
  [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"
  ☆33Updated 2 months ago
• guanjq / targetdiff
  The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
  ☆219Updated 10 months ago
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆113Updated 5 months ago
• junxia97 / Mole-BERT
  [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"
  ☆102Updated last year
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆85Updated 2 weeks ago
• smiles724 / Molformer
  ☆89Updated 2 years ago
• THUNLP-MT / MEAN
  This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.
  ☆87Updated last year
• Layne-Huang / PMDM
  ☆109Updated 3 weeks ago
• THUNLP-MT / GET
  This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).
  ☆24Updated 2 months ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆61Updated 7 months ago
• AlgoMole / MolCRAFT
  Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"
  ☆74Updated last month
• smiles724 / ProtMD
  ☆62Updated last year
• tencent-ailab / MDM
  MDM
  ☆45Updated 9 months ago
• HaotianZhangAI4Science / ResGen
  3D_Molecular_Generation
  ☆79Updated last year
• DeepGraphLearning / DiffPack
  Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing
  ☆75Updated 11 months ago
• liugangcode / Graph-DiT
  The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"
  ☆25Updated 5 months ago
• KyGao / awesome-docking
  An awesome & curated list of docking papers
  ☆78Updated this week
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆28Updated 9 months ago
• YangLing0818 / IPDiff
  [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models
  ☆28Updated 2 months ago
• qiangbo1222 / HierDiff
  Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D
  ☆39Updated last year
• luwei0917 / TankBind
  Open source code for TankBind. Galixir Tenchnologies
  ☆150Updated last year
• HongxinXiang / ImageMol
  ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.
  ☆46Updated 2 months ago
• yuanqidu / LeftNet
  ☆50Updated 6 months ago
• Ced3-han / PepFlowww
  Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)
  ☆47Updated last month
• molML / MoleculeACE
  A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
  ☆167Updated 7 months ago
• luost26 / 3D-Generative-SBDD
  💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)
  ☆183Updated last year