Alternatives and similar repositories for PhysDock

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

• mabr3112 / riff_diff_protflow
  ProtFlow Implementation of the RiffDiff pipeline to design enzymes from theozymes.
  ☆62Updated 3 weeks ago
• BIMSBbioinfo / PocketVina
  GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementa…
  ☆67Updated last month
• ohuelab / boltzina
  Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2
  ☆74Updated 3 weeks ago
• bunzela / AIzymes
  ☆63Updated 2 months ago
• gfzhou / OpenVS
  Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"
  ☆62Updated last year
• Ryan-Hu-Hu-Hu / GRACE
  GRACE: Generative Renaissance in Artificial Computational Enzyme Design
  ☆19Updated 11 months ago
• MolecularAI / PepINVENT
  ☆56Updated 9 months ago
• Hoecker-Lab / pocketoptimizer
  Binding pocket optimization based on force fields and docking scoring functions
  ☆37Updated 9 months ago
• Mingchenchen / AF3Score
  A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation
  ☆80Updated 4 months ago
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆44Updated last month
• hongliangduan / HighFold
  ☆36Updated last year
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆116Updated last year
• regeneron-mpds / propermab
  ☆43Updated 8 months ago
• huhlim / alphafold-multistate
  ☆42Updated last year
• GMdSilva / gms_natcomms_1705932980_data
  Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2
  ☆42Updated last year
• tiejundong / FlexPose
  FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
  ☆54Updated 2 years ago
• ale94mleon / BindFlow
  A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS
  ☆123Updated 3 weeks ago
• wallnerlab / AFsample2
  Modelling protein conformational landscape with Alphafold
  ☆54Updated 4 months ago
• WillHua127 / GENzyme
  Official repository of GENzyme
  ☆60Updated last year
• carbonsilicon-ai / CarsiDock
  Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…
  ☆104Updated 4 months ago
• CAODH / EquiScore
  ☆81Updated last year
• iriziotis / Uniprot-PDB-mapper
  Quick mapping of Uniprot sequences to PDB structures
  ☆36Updated 8 months ago
• OdinZhang / Delete
  A universal structure-directed lead optimization
  ☆63Updated 9 months ago
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆39Updated 2 months ago
• cddlab / boltz_ext
  ☆14Updated 3 weeks ago
• sokrypton / af2bind
  ☆54Updated last month
• ELELAB / RosettaDDGPrediction
  ☆84Updated last month
• meilerlab / HyperMPNN
  HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles
  ☆69Updated 5 months ago
• ci-lab-cz / streamd
  Fully automated high-throughput MD pipeline
  ☆86Updated this week
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆31Updated 3 weeks ago