Alternatives and similar repositories for EquiPNAS

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

• BioinfoMachineLearning / GCPNet
  A geometry-complete SE(3)-equivariant perceptron network (GCPNet) for 3D graphs. (Bioinformatics)
  ☆45Updated last month
• Graylab / GeoDock
  Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.
  ☆95Updated 10 months ago
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆26Updated last year
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆44Updated 4 months ago
• leeyang / DRfold
  ☆39Updated last year
• Kuhlman-Lab / ThermoMPNN-D
  Extension of ThermoMPNN for double mutant predictions
  ☆34Updated 2 months ago
• GMdSilva / gms_natcomms_1705932980_data
  Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2
  ☆39Updated last year
• vsomnath / flexdock
  Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)
  ☆41Updated 3 weeks ago
• OdinZhang / SurfGen
  SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation
  ☆66Updated 6 months ago
• Mingchenchen / AF3Score
  A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation
  ☆52Updated this week
• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆39Updated last year
• casperg92 / MaSIF_colab
  dMaSIF implementation for google colab
  ☆32Updated 2 years ago
• Profluent-Internships / MMDiff
  Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion
  ☆58Updated last year
• LPDI-EPFL / masif-neosurf
  MaSIF-neosurf: surface-based protein design for ternary complexes.
  ☆123Updated last week
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆14Updated last year
• KULL-Centre / _2024_cagiada_stability
  ☆67Updated 2 months ago
• Wangchentong / Proteus
  Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.
  ☆75Updated 11 months ago
• PeptoneLtd / proteinmpnn_ddg
  Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.
  ☆48Updated 2 weeks ago
• tiejundong / FlexPose
  FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
  ☆53Updated last year
• EureKaZhu / DiffAffinity
  Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)
  ☆35Updated last year
• feiglab / idpgan
  ☆48Updated 5 months ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• pengzhangzhi / ab_opt
  Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.
  ☆59Updated last year
• CDDLeiden / PCMol
  Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
  ☆65Updated 2 months ago
• LBM-EPFL / CARBonAra
  Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protei…
  ☆43Updated 6 months ago
• patrickbryant1 / Cfold
  Structure prediction of alternative protein conformations
  ☆75Updated 3 months ago
• KexinZhangResearch / PhysDock
  Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction
  ☆54Updated last month
• shuyana / DiffusionProteinLigand
  ☆79Updated last year
• ELELAB / RosettaDDGPrediction
  ☆65Updated 3 months ago
• lamm-mit / ProteinDiffusionGenerator
  Generative method to design novel proteins using a diffusion model
  ☆42Updated 2 years ago