Alternatives and similar repositories for FAST:

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

• RMeli / gnina-torch
  🔥 PyTorch implementation of GNINA scoring function for molecular docking
  ☆61Updated last month
• drorlab / combind
  Integrated physics-based and ligand-based modeling.
  ☆61Updated 2 years ago
• shuyana / DiffusionProteinLigand
  ☆78Updated last year
• drorlab / DIPS
  Database of Interacting Protein Structures (DIPS)
  ☆99Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• EBjerrum / molvecgen
  Molecular vectorization and batch generation
  ☆52Updated 4 years ago
• zhenglz / onionnet
  A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction
  ☆79Updated 4 years ago
• oxpig / DeLinker
  ☆125Updated 2 years ago
• wengong-jin / abdockgen
  ☆106Updated 2 years ago
• Barabasi-Lab / AI-Bind
  Interpretable AI pipeline improving binding predictions for novel protein targets and ligands
  ☆38Updated 11 months ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆58Updated last year
• OdinZhang / ResGen
  3D_Molecular_Generation
  ☆87Updated 5 months ago
• BioinfoMachineLearning / DIPS-Plus
  The Enhanced Database of Interacting Protein Structures for Interface Prediction
  ☆48Updated last year
• anton-bushuiev / PPIformer
  Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)
  ☆44Updated 3 months ago
• 595693085 / DGraphDTA
  a novel DTA predition method using graph neural network
  ☆73Updated last year
• phermosilla / IEConv_proteins
  Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures
  ☆48Updated 3 years ago
• wsjeon92 / morld
  ☆27Updated last year
• cieplinski-tobiasz / smina-docking-benchmark
  ☆71Updated 2 years ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆116Updated 2 years ago
• jaechanglim / GNN_DTI
  ☆67Updated 4 years ago
• wengong-jin / DSMBind
  ☆87Updated 6 months ago
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆104Updated 5 months ago
• uta-smile / SMILES-BERT
  ☆47Updated 4 years ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆66Updated last year
• oxpig / DEVELOP
  ☆55Updated last year
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• ETHmodlab / virtual_libraries
  Supporting code for the paper «Generative molecular design in low data regimes»
  ☆65Updated 3 years ago
• LPDI-EPFL / masif-neosurf
  MaSIF-neosurf: surface-based protein design for ternary complexes.
  ☆112Updated last month
• piercelab / antibody_benchmark
  Antibody-Antigen Docking and Affinity Benchmark
  ☆71Updated 4 years ago
• cch1999 / posecheck
  Pose checks for 3D Structure-based Drug Design methods
  ☆80Updated 5 months ago