Alternatives and similar repositories for DD_protocol

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

• swansonk14 / admet_ai
  Training and prediction scripts for Chemprop models trained on ADMET datasets
  ☆189Updated 9 months ago
• schrojunzhang / KarmaDock
  ☆114Updated 11 months ago
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆122Updated 2 years ago
• OptiMaL-PSE-Lab / DeepDock
  Code related to : O. Mendez-Lucio, M. Ahmad, E.A. del Rio-Chanona, J.K. Wegner, A Geometric Deep Learning Approach to Predict Binding Co…
  ☆179Updated 3 years ago
• Valdes-Tresanco-MS / AutoDockTools_py3
  Python3 translation of AutoDockTools
  ☆122Updated last year
• LPDI-EPFL / masif-neosurf
  MaSIF-neosurf: surface-based protein design for ternary complexes.
  ☆131Updated last week
• DeltaGroupNJUPT / Vina-GPU-2.1
  Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening
  ☆105Updated 9 months ago
• DeltaGroupNJUPT / Vina-GPU-2.0
  Vina-GPU 2.0 accelerates AutoDock Vina and its related commonly derived docking methods, such as QuickVina 2 and QuickVina-W with GPUs.
  ☆106Updated last year
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆106Updated 8 months ago
• dptech-corp / Uni-GBSA
  An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…
  ☆112Updated 8 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…
  ☆92Updated 3 months ago
• Wang-Lin-boop / CADD-Scripts
  Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta
  ☆76Updated 3 months ago
• patrickbryant1 / Umol
  Protein-ligand structure prediction
  ☆219Updated 11 months ago
• Wang-Lin-boop / GeminiMol
  Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…
  ☆53Updated last month
• mwojcikowski / smina
  ☆122Updated 6 years ago
• BioinfoMachineLearning / PoseBench
  Comprehensive benchmarking of protein-ligand structure prediction methods. (ICML 2024 AI4Science)
  ☆158Updated 3 months ago
• hefeda / design_tools
  A compilation of deep learning methods for protein design
  ☆97Updated 2 years ago
• dockstring / dockstring
  A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discover…
  ☆172Updated 2 months ago
• CAODH / SurfDock
  SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction
  ☆199Updated last week
• t7morgen / misato-dataset
  ☆208Updated 10 months ago
• bytedance / Protenix-Dock
  An accurate and trainable end-to-end protein-ligand docking framework
  ☆98Updated 3 months ago
• oxpig / DeLinker
  ☆127Updated 2 years ago
• CDDLeiden / DrugEx
  De Novo Drug Design with RNNs and Transformers
  ☆146Updated 7 months ago
• luancarvalhomartins / PyAutoFEP
  PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods
  ☆190Updated last year
• luwei0917 / DynamicBind
  repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
  ☆258Updated last year
• QVina / qvina
  Accurately speed up AutoDock Vina
  ☆152Updated last year
• jertubiana / ScanNet
  ☆128Updated 3 weeks ago
• Mickdub / gvp
  ☆83Updated last year
• katritchlab / V-SYNTHES
  ☆76Updated 3 years ago
• ChatMol / gromacs_copilot
  Let LLM run your MDs.
  ☆215Updated 3 months ago