Alternatives and similar repositories for SWIT:

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

• SongXia-NYU / DiffDock-NMDN
  ☆13Updated 6 months ago
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆11Updated 11 months ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆26Updated 2 years ago
• issararab / CToxPred
  Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2
  ☆19Updated 6 months ago
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆13Updated last year
• giaguaro / PROTACable
  PROTACable is an end-to-end in-silico design toolkit for novel PROTACs
  ☆28Updated 10 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆19Updated 2 years ago
• Brian-hongyan / DeepCoSI
  DeepCoSI: a Structure-based Deep Graph Learning Network Method for Covalent Binding Site Identification.
  ☆12Updated last year
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆15Updated last year
• zjujdj / MetalProGNet
  ☆12Updated 9 months ago
• ELELAB / PDBminer
  scripts to find PBD structures for cancer driver proteins
  ☆31Updated 2 months ago
• jRicciL / ML-ensemble-docking
  Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
  ☆23Updated 3 years ago
• FatimaNoor74 / VirtuDockDL
  ☆16Updated 6 months ago
• OdinZhang / FragGen
  This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry
  ☆24Updated 3 weeks ago
• kimeguida / POEM
  Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition
  ☆14Updated 2 years ago
• iipharma / transpharmer-repo
  ☆31Updated 3 weeks ago
• NiBoyang / AutoDock-SS
  Use AutoDock for Ligand-based Virtual Screening
  ☆21Updated 8 months ago
• oxpig / MolSnapper
  ☆24Updated 5 months ago
• karanicolaslab / PROTAC_ternary
  ☆18Updated 2 years ago
• mindrank-ai / PharmaBench
  ☆34Updated last year
• BIMSBbioinfo / CompassDock
  Official Implementation of CompassDock
  ☆18Updated 6 months ago
• 5AGE-zhang / TocoDecoy
  ☆12Updated 3 years ago
• rareylab / InteractionDrawer
  InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.
  ☆20Updated last year
• GilbertoPPereira / PROTACability
  ☆12Updated last year
• sekijima-lab / mermaid
  ☆13Updated 3 years ago
• PKUGaoGroup / DSDPFlex
  DSDPFlex: Flexible-Receptor Docking with GPU Acceleration
  ☆23Updated 4 months ago
• mldlproject / 2021-iCYP-MFE
  Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…
  ☆17Updated last year
• molecularmodelingsection / SuMD
  Python code to run Supervised Molecular Dynamics (SuMD) simulations
  ☆14Updated 11 months ago
• amp91 / PeptideModels
  Code for peptide ligand design with machine learning models.
  ☆24Updated 4 months ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago