Alternatives and similar repositories for rfscorevs

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

• oddt / rfscorevs_binary
  RF-Score-VS binary
  ☆31Updated 6 years ago
• czodrowskilab / VSFlow
  ☆95Updated 7 months ago
• forlilab / Ringtail
  Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
  ☆52Updated 3 months ago
• volkamerlab / KinFragLib
  Kinase-focused fragment library
  ☆66Updated last week
• mahendra-awale / medchem_moves
  ☆47Updated 4 years ago
• DrrDom / pmapper
  3D pharmacophore signatures and fingerprints
  ☆108Updated 4 months ago
• meddwl / psearch
  3D ligand-based pharmacophore modeling
  ☆50Updated 4 months ago
• jenniening / deltaVinaXGB
  This is a machine-learning based protein-ligand scoring function.
  ☆52Updated 4 years ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆82Updated 8 months ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆76Updated 2 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆74Updated last year
• uibcdf / OpenPharmacophore
  An open library to work with pharmacophores.
  ☆45Updated 2 years ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• MolecularAI / Lib-INVENT
  ☆58Updated 2 years ago
• prcurran / hotspots
  A knowledge-based method for determining small molecule binding "hotspots".
  ☆37Updated last year
• oxpig / DEVELOP
  ☆55Updated last year
• PatWalters / Free-Wilson
  An implementation of the Free-Wilson SAR analysis method using the RDKit
  ☆59Updated 3 years ago
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆43Updated last year
• MolecularAI / DockStream
  DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
  ☆123Updated 2 years ago
• fimrie / DeepCoy
  ☆30Updated last year
• rdkit / shape-it
  Updated version of Silicos-it's shape-based alignment tool
  ☆43Updated last week
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆49Updated 5 years ago
• karanicolaslab / PROTAC_ternary
  ☆19Updated 3 years ago
• protocaller / ProtoCaller
  Full automation of relative protein-ligand binding free energy calculations in GROMACS
  ☆45Updated 4 years ago
• cimm-kzn / 3D-MIL-QSAR
  Conformer Multi-Instance Machine Learning
  ☆59Updated last week
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 4 years ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆42Updated last year
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• PatWalters / TS
  Thompson Sampling
  ☆76Updated 4 months ago