Alternatives and similar repositories for vnegnn

Users that are interested in vnegnn are comparing it to the libraries listed below

• Profluent-Internships / MMDiff
  Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion
  ☆58Updated last year
• divelab / GraphBP
  Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
  ☆108Updated last year
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆44Updated 5 months ago
• THUNLP-MT / GET
  This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).
  ☆30Updated 9 months ago
• leojklarner / context-guided-diffusion
  Code for the paper Context-Guided Diffusion for Out-of-Distribution Molecular and Protein Design
  ☆39Updated 11 months ago
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆26Updated last year
• DeepGraphLearning / DiffPack
  Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing
  ☆87Updated last year
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆114Updated 6 months ago
• HannesStark / FlowSite
  Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …
  ☆99Updated 10 months ago
• NVlabs / protcomposer
  ☆41Updated 3 months ago
• zaixizhang / FAIR
  NeurIPS 2023 Spotlight paper: Full atom protein pocket design via iterative refinement
  ☆48Updated last year
• Ced3-han / PepFlowww
  Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)
  ☆82Updated last month
• DirectMolecularConfGen / DMCG
  ☆56Updated 2 years ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆67Updated last year
• ml-jku / MHNfs
  ☆21Updated last year
• kirjner / GGS
  This repository implements Gibbs sampling with Graph-based Smoothing
  ☆38Updated last year
• THGLab / LP-PDBBind
  ☆44Updated last year
• pengxingang / MolDiff
  MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
  ☆60Updated 11 months ago
• HySonLab / Protein_Pretrain
  Multimodal Pretraining for Unsupervised Protein Representation Learning
  ☆22Updated 10 months ago
• biomed-AI / GraphPPIS
  ☆53Updated 10 months ago
• Immortals-33 / Scaffold-Lab
  A comprehensive benchmark on the performances of multiple protein backbone generative models.
  ☆61Updated last month
• leeyang / DRfold
  ☆39Updated last year
• Dunni3 / keypoint-diffusion
  A diffusion model for structure-based drug design with faster inference from learned representations of protein structure.
  ☆29Updated last year
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆47Updated 2 years ago
• jostorge / diffusion-hopping
  DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping
  ☆32Updated last year
• rish-16 / rna-backbone-design
  Source code for RNA-FrameFlow: SE(3) Flow Matching for 3D RNA Backbone Design
  ☆64Updated 3 weeks ago
• THUNLP-MT / PepGLAD
  Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)
  ☆76Updated 2 months ago
• WillHua127 / ReactZyme
  Official repository of ReactZyme
  ☆33Updated 8 months ago
• phermosilla / IEConv_proteins
  Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures
  ☆47Updated 3 years ago
• dmis-lab / PerceiverCPI
  Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction
  ☆36Updated last year