Alternatives and similar repositories for GraphBP

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

• DirectMolecularConfGen / DMCG
  ☆58Updated 2 years ago
• DeepGraphLearning / DiffPack
  Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive Protein Side-Chain Packing
  ☆89Updated last year
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆47Updated 2 years ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆63Updated 3 weeks ago
• shuyana / DiffusionProteinLigand
  ☆78Updated last year
• THGLab / LP-PDBBind
  ☆46Updated 3 weeks ago
• cch1999 / posecheck
  Pose checks for 3D Structure-based Drug Design methods
  ☆88Updated 9 months ago
• smiles724 / ProtMD
  ☆64Updated last month
• QizhiPei / FABind
  FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)
  ☆134Updated 3 weeks ago
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆46Updated 4 years ago
• wenhao-gao / SynNet
  ☆91Updated 2 years ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆69Updated last year
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 4 years ago
• drorlab / DIPS
  Database of Interacting Protein Structures (DIPS)
  ☆102Updated last year
• HannesStark / FlowSite
  Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …
  ☆99Updated last year
• wengong-jin / abdockgen
  ☆106Updated 2 years ago
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆45Updated 6 months ago
• mirunacrt / synflownet
  A GFlowNet with a chemical synthesis action space.
  ☆82Updated 6 months ago
• cieplinski-tobiasz / smina-docking-benchmark
  ☆74Updated 2 years ago
• LPDI-EPFL / DrugFlow
  Multi-domain Distribution Learning for De Novo Drug Design
  ☆105Updated 4 months ago
• blt2114 / ProtDiff_SMCDiff
  Code implementation of "Diffusion probabilistic modeling of protein backbones in 3D for the motif-scaffolding problem" https://arxiv.org/…
  ☆75Updated last year
• molML / s4-for-de-novo-drug-design
  The official codebase of the paper "Chemical language modeling with structured state space sequence models"
  ☆80Updated last year
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆119Updated 7 months ago
• learningmatter-mit / GenZProt
  ☆27Updated last year
• PattanaikL / GeoMol
  ☆161Updated last year
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆65Updated 5 months ago
• smiles724 / Molformer
  ☆96Updated last month
• nyu-dl / dl4chem-mgm
  ☆67Updated 3 years ago
• luost26 / RDE-PPI
  Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)
  ☆58Updated last year
• shehzaidi / pre-training-via-denoising
  Official implementation of pre-training via denoising for TorchMD-NET
  ☆96Updated 2 years ago