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".
  ☆41Updated last year
• fimrie / DeepCoy
  ☆30Updated last year
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆33Updated 4 years ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆63Updated last month
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆82Updated 9 months ago
• meddwl / psearch
  3D ligand-based pharmacophore modeling
  ☆50Updated 5 months ago
• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆39Updated 2 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated 2 years ago
• karanicolaslab / PROTAC_ternary
  ☆19Updated 3 years ago
• MorganCThomas / MolScore_examples
  Examples of MolScore implementations
  ☆11Updated last year
• giaguaro / PROTACable
  PROTACable is an end-to-end in-silico design toolkit for novel PROTACs
  ☆29Updated last year
• mahendra-awale / medchem_moves
  ☆47Updated 5 years ago
• durrantlab / deepfrag
  DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…
  ☆28Updated 4 months ago
• czodrowskilab / VSFlow
  ☆96Updated 8 months ago
• Xundrug / AA-Score-Tool
  a tool for protein-ligand binding affinity prediction
  ☆37Updated 2 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆21Updated 2 years ago
• uibcdf / OpenPharmacophore
  An open library to work with pharmacophores.
  ☆46Updated 2 years ago
• oxpig / MolSnapper
  ☆51Updated 5 months ago
• RPirie96 / RGMolSA
  ☆35Updated last year
• MolecularAI / Lib-INVENT
  ☆58Updated 2 years ago
• DrugBud-Suite / CADD_Vault
  ☆59Updated 7 months ago
• carlesperez94 / frag_pele
  FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand …
  ☆37Updated 4 years ago
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆30Updated 5 months ago
• mindrank-ai / PharmaBench
  ☆48Updated last year
• brueckna2020 / MDFit
  Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics
  ☆19Updated last year
• healx / lig3dlens
  ☆55Updated last month
• dkoes / pharmit
  Open-source online virtual screening tools for large databases
  ☆32Updated last year
• cimm-kzn / 3D-MIL-QSAR
  Conformer multi-instance machine Learning
  ☆59Updated last month
• iipharma / transpharmer-repo
  ☆40Updated 7 months ago
• IanAWatson / Lilly-Medchem-Rules
  Implementation of Lilly Medchem Rules - J Med Chem 2012
  ☆94Updated this week