Alternatives and similar repositories for DrugCLIP_screen_pipeline

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

• LPDI-EPFL / masif_seed
  Masif seed paper repository
  ☆163Updated last month
• LPDI-EPFL / masif-neosurf
  MaSIF-neosurf: surface-based protein design for ternary complexes.
  ☆154Updated last week
• CAODH / SurfDock
  SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction
  ☆216Updated last month
• Wang-Lin-boop / CADD-Scripts
  Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta
  ☆81Updated 6 months ago
• HBioquant / DiffBindFR
  Diffusion model based protein-ligand flexible docking method
  ☆114Updated last year
• CAODH / EquiScore
  ☆78Updated last year
• ikalvet / heme_binder_diffusion
  ☆139Updated 3 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…
  ☆101Updated 2 months ago
• TencentAI4S / tfold
  open source code for Tencent tFold
  ☆115Updated 7 months ago
• Liuxg16 / GeoPPI
  ☆87Updated 3 years ago
• patrickbryant1 / Umol
  Protein-ligand structure prediction
  ☆232Updated 3 months ago
• bytedance / Protenix-Dock
  An accurate and trainable end-to-end protein-ligand docking framework
  ☆113Updated 7 months ago
• jertubiana / ScanNet
  ☆134Updated 4 months ago
• Kuhlman-Lab / ThermoMPNN
  GNN trained to predict changes in thermodynamic stability for protein point mutants
  ☆200Updated 3 months ago
• Kortemme-Lab / flex_ddG_tutorial
  ☆128Updated 3 years ago
• bowen-gao / DrugCLIP
  [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening
  ☆116Updated last year
• Valdes-Tresanco-MS / AutoDockTools_py3
  Python3 translation of AutoDockTools
  ☆129Updated last year
• KexinZhangResearch / PhysDock
  Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction
  ☆82Updated last month
• LBM-EPFL / PeSTo
  Geometric deep learning method to predict protein binding interfaces from a protein structure.
  ☆146Updated 2 years ago
• Graylab / FLAb
  Fitness landscapes for antibodies
  ☆90Updated 2 months ago
• HWaymentSteele / AF_Cluster
  Predict multiple protein conformations using sequence clustering and AlphaFold2.
  ☆163Updated last month
• oxpig / ImmuneBuilder
  Predict the structure of immune receptor proteins
  ☆164Updated 9 months ago
• yehlincho / BoltzDesign1
  ☆217Updated 2 months ago
• zhanghaicang / carbonmatrix_public
  ☆116Updated 4 months ago
• hefeda / design_tools
  A compilation of deep learning methods for protein design
  ☆97Updated 3 years ago
• dahjan / DMS_opt
  ☆72Updated 5 years ago
• JeffSHF / ColabDock
  Code for ColabDock paper
  ☆148Updated 6 months ago
• guyujun / pyrosetta-basic
  ☆174Updated 4 years ago
• tencent-ailab / Interformer
  ☆112Updated 3 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.
  ☆112Updated 2 years ago