Alternatives and similar repositories for DiffPack:

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

• Ced3-han / PepFlowww
  Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)
  ☆61Updated 4 months ago
• wengong-jin / DSMBind
  ☆81Updated 4 months ago
• divelab / GraphBP
  Official implementation of "Generating 3D Molecules for Target Protein Binding" [ICML2022 Long Presentation]
  ☆106Updated last year
• dakpinaroglu / Frame2seq
  Structure-conditioned masked language modeling for protein sequence design
  ☆61Updated last year
• wengong-jin / abdockgen
  ☆105Updated last year
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆47Updated last month
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆93Updated 2 months ago
• smiles724 / ProtMD
  ☆62Updated 2 years ago
• WillHua127 / EnzymeFlow
  Official repository of EnzymeFlow
  ☆75Updated 2 months ago
• Wangchentong / Proteus
  Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.
  ☆74Updated 7 months ago
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆77Updated 9 months ago
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆99Updated 3 months ago
• THUNLP-MT / MEAN
  This repo contains the codes for our paper Conditional Antibody Design as 3D Equivariant Graph Translation.
  ☆91Updated last year
• HaotianZhangAI4Science / SurfGen
  SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation
  ☆60Updated 2 months ago
• BioinfoMachineLearning / DIPS-Plus
  The Enhanced Database of Interacting Protein Structures for Interface Prediction
  ☆48Updated last year
• THUNLP-MT / dyMEAN
  This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"
  ☆100Updated 10 months ago
• lujiarui / Str2Str
  Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)
  ☆71Updated 11 months ago
• LPDI-EPFL / masif-neosurf
  MaSIF-neosurf: surface-based protein design for ternary complexes.
  ☆89Updated this week
• shuyana / DiffusionProteinLigand
  ☆78Updated 11 months ago
• QizhiPei / FABind
  FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)
  ☆121Updated 6 months ago
• luost26 / RDE-PPI
  Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)
  ☆57Updated 8 months ago
• Graylab / GeoDock
  Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.
  ☆88Updated 6 months ago
• pinder-org / pinder
  PINDER: The Protein INteraction Dataset and Evaluation Resource
  ☆100Updated 3 months ago
• carbonsilicon-ai / CarsiDock
  Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…
  ☆75Updated 6 months ago
• jproney / AF2Rank
  ☆99Updated 2 years ago
• THUNLP-MT / GET
  This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).
  ☆27Updated 5 months ago
• LBM-EPFL / PeSTo
  Geometric deep learning method to predict protein binding interfaces from a protein structure.
  ☆120Updated last year
• tencent-ailab / Interformer
  ☆82Updated 2 weeks ago
• levinthal / Pallatom
  ☆84Updated 3 months ago
• pengzhangzhi / ab_opt
  Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.
  ☆56Updated last year