Alternatives and similar repositories for deltavina

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

• oddt / rfscorevs_binary
  RF-Score-VS binary
  ☆31Updated 7 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years 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
• meddwl / psearch
  3D ligand-based pharmacophore modeling
  ☆51Updated 6 months ago
• oddt / rfscorevs
  RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening
  ☆49Updated 6 years ago
• fimrie / DeepCoy
  ☆30Updated last year
• YuYaoYang2333 / SyntaLinker
  Automatic Fragment Linking with Deep Conditional Transformer Neural Networks
  ☆56Updated 3 years ago
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• oxpig / DEVELOP
  ☆56Updated last year
• protocaller / ProtoCaller
  Full automation of relative protein-ligand binding free energy calculations in GROMACS
  ☆45Updated 4 years ago
• IFMlab / ChemFlow
  Computational Chemistry Workflows
  ☆56Updated 3 years ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆75Updated last year
• MolecularAI / Icolos
  Icolos: A workflow manager for structure based post-processing of de novo generated small molecules
  ☆55Updated 2 years ago
• uibcdf / OpenPharmacophore
  An open library to work with pharmacophores.
  ☆48Updated 2 years ago
• mahendra-awale / medchem_moves
  ☆47Updated 5 years ago
• oxpig / MolSnapper
  ☆52Updated 6 months ago
• wolberlab / pyrod
  PyRod - Tracing water molecules in molecular dynamics simulations
  ☆54Updated 3 weeks ago
• clinfo / SBMolGen
  ☆42Updated 3 years ago
• czodrowskilab / Machine-learning-meets-pKa
  ☆77Updated 2 years ago
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆33Updated 4 years ago
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆83Updated 10 months ago
• czodrowskilab / VSFlow
  ☆98Updated 8 months ago
• dkoes / pharmit
  Open-source online virtual screening tools for large databases
  ☆33Updated last year
• Laboratoire-de-Chemoinformatique / RDTool
  Optimized version of the Reaction Decoder Tool (RDTool)
  ☆18Updated 5 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆21Updated 2 years ago
• gnina / scripts
  ☆26Updated 2 years ago
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆45Updated 3 years ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆28Updated 3 years ago
• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆39Updated 2 years ago
• fimrie / DeLinker
  ☆38Updated 4 years ago