Alternatives and similar repositories for AI-Bind:

Users that are interested in AI-Bind are comparing it to the libraries listed below

• molecularmodelinglab / plantain
  Fast and accurate molecular docking with an AI pose scoring function
  ☆37Updated 11 months ago
• czodrowskilab / VSFlow
  ☆85Updated last year
• viko-3 / TargetGAN
  ☆26Updated last year
• tiejundong / FlexPose
  FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
  ☆51Updated last year
• BFeng14 / ActFound
  Official implementation for ActFound: A bioactivity foundation model using pairwise meta-learning
  ☆36Updated 2 months ago
• LPDI-EPFL / masif-neosurf
  MaSIF-neosurf: surface-based protein design for ternary complexes.
  ☆53Updated this week
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆28Updated last year
• Vfold-RNA / RLDOCK
  ☆30Updated 9 months ago
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆47Updated this week
• huhlim / alphafold-multistate
  ☆33Updated 9 months ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆86Updated last year
• Barabasi-Lab / AI-Bind
  Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
  ☆37Updated 8 months ago
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆30Updated last month
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆45Updated last month
• MatthewMasters / EDM-Dock
  ☆32Updated last year
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆42Updated last month
• luoyunan / KDBNet
  Kinase–drug binding prediction with calibrated uncertainty quantification
  ☆24Updated 11 months ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆112Updated last year
• ohuelab / ColabDesign-cyclic-binder
  ☆28Updated last year
• LDeng0205 / confidence-bootstrapping
  Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
  ☆26Updated 10 months ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆60Updated 6 months ago
• cthoyt / chembl-downloader
  Write reproducible code for getting and processing ChEMBL
  ☆71Updated 11 months ago
• ProteinDesignLab / IgVAE
  A variational autoencoder that directly generates the 3D coordinates of immunoglobulin protein backbones.
  ☆25Updated 2 years ago
• coleygroup / shepherd-score
  Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD.
  ☆17Updated this week
• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆59Updated 3 weeks ago
• WillHua127 / EnzymeFlow
  Official repository of EnzymeFlow
  ☆72Updated last month
• CDDLeiden / PCMol
  Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.
  ☆59Updated 2 months ago
• Mickdub / gvp
  ☆77Updated 11 months ago
• WeiLab-Biology / DeepProSite
  ☆28Updated last year