Alternatives and similar repositories for Papyrus-scripts

Users that are interested in Papyrus-scripts are comparing it to the libraries listed below

• rinikerlab / overlapping_assays
  Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".
  ☆45Updated 2 years ago
• knu-lcbc / MolForge
  ☆31Updated 2 years ago
• prcurran / hotspots
  A knowledge-based method for determining small molecule binding "hotspots".
  ☆37Updated last year
• coleygroup / shepherd-score
  Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]
  ☆33Updated last week
• CDDLeiden / Papyrus-scripts
  ☆22Updated 2 years ago
• MolecularAI / Icolos
  Icolos: A workflow manager for structure based post-processing of de novo generated small molecules
  ☆58Updated 2 years ago
• healx / lig3dlens
  ☆54Updated 3 weeks ago
• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆40Updated 2 years ago
• mahendra-awale / medchem_moves
  ☆49Updated 5 years ago
• fimrie / DeepCoy
  ☆30Updated 2 years ago
• novonordisk-research / pepfunn
  Python package for the analysis of natural and modified peptides using a set of modules to study their sequences
  ☆47Updated 2 months ago
• PatWalters / workshop
  ☆66Updated 4 years ago
• czodrowskilab / VSFlow
  ☆101Updated 11 months ago
• Vfold-RNA / RLDOCK
  ☆32Updated last year
• oddt / rfscorevs
  RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening
  ☆49Updated 7 years ago
• oxpig / MolSnapper
  ☆54Updated 9 months ago
• ghiander / novana
  Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.
  ☆52Updated 11 months ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆85Updated last year
• oddt / rfscorevs_binary
  RF-Score-VS binary
  ☆31Updated 7 years ago
• matteoferla / Python_SmallWorld_API
  An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)
  ☆46Updated 2 years ago
• ci-lab-cz / easydock
  Fully automated docking pipeline (can be run in distributed environments)
  ☆55Updated last month
• ohuelab / boltzina
  Boltzina: Efficient and Accurate Virtual Screening via Docking-Guided Binding Prediction with Boltz-2
  ☆78Updated 2 months ago
• coleygroup / pyscreener
  pythonic interface to virtual screening software
  ☆92Updated 5 months ago
• Carlssonlab / conformalpredictor
  Machine learning accelerated docking screens
  ☆69Updated last year
• fergaljd / cyclops
  ☆19Updated last year
• polaris-hub / polaris-method-comparison
  Experiments for the method comparison paper.
  ☆35Updated 4 months ago
• PatWalters / Free-Wilson
  An implementation of the Free-Wilson SAR analysis method using the RDKit
  ☆61Updated 3 years ago
• MarcMoesser / Protein-Ligand-Interaction-Graphs
  ☆39Updated 2 years ago
• Merck / matcher
  Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…
  ☆66Updated last year
• viko-3 / TargetGAN
  ☆28Updated 2 years ago