Alternatives and similar repositories for GNN-Bottleneck:

Users that are interested in GNN-Bottleneck are comparing it to the libraries listed below

• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆61Updated 9 months ago
• JocelynSong / SurfPro
  ☆21Updated this week
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆47Updated 2 weeks ago
• Barabasi-Lab / AI-Bind
  Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
  ☆37Updated 8 months ago
• DeepGraphLearning / GearBind
  Pretrainable geometric graph neural network for antibody affinity maturation
  ☆41Updated 5 months ago
• THUNLP-MT / GET
  This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).
  ☆27Updated 4 months ago
• SigmaGenX / TamGen
  ☆21Updated 2 months ago
• pengzhangzhi / ab_opt
  Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.
  ☆54Updated last year
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆26Updated 11 months ago
• EureKaZhu / DiffAffinity
  Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)
  ☆31Updated last year
• huankoh / PSICHIC
  PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…
  ☆91Updated 7 months ago
• THUNLP-MT / dyMEAN
  This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"
  ☆99Updated 9 months ago
• DeepGraphLearning / S3F
  Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)
  ☆23Updated last month
• pgmikhael / clipzyme
  Reaction-Conditioned Virtual Screening of Enzymes
  ☆25Updated 2 months ago
• allanchen95 / ESMPair
  Bib'23: Improved the Heterodimer Protein Complex Prediction with Protein Language Models
  ☆15Updated last year
• WillHua127 / ReactZyme
  Official repository of ReactZyme
  ☆26Updated 3 months ago
• vsomnath / holoprot
  Multi-Scale Representation Learning on Proteins (NeurIPS 2021)
  ☆46Updated last year
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆28Updated last year
• KyGao / ABGNN
  PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"
  ☆50Updated last year
• stebliankin / piston
  Evaluating Protein Binding Interfaces with Transformer Networks
  ☆40Updated last year
• THUNLP-MT / PepGLAD
  Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)
  ☆42Updated 3 weeks ago
• THUNLP-MT / MEAN
  This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.
  ☆91Updated last year
• kirjner / GGS
  This repository implements Gibbs sampling with Graph-based Smoothing
  ☆36Updated 8 months ago
• smiles724 / ProtMD
  ☆62Updated 2 years ago
• Ced3-han / PepFlowww
  Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)
  ☆57Updated 3 months ago
• THGLab / LP-PDBBind
  ☆34Updated last year
• leeyang / DRfold
  ☆33Updated last year
• luost26 / RDE-PPI
  Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)
  ☆57Updated 7 months ago
• myprecioushh / ZeroBind
  ☆21Updated 9 months ago
• HySonLab / Protein_Pretrain
  Multimodal Pretraining for Unsupervised Protein Representation Learning
  ☆22Updated 6 months ago