Alternatives and similar repositories for MolSHAP

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

• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 4 years ago
• TuomoKalliokoski / HASTEN
  Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening
  ☆39Updated last year
• yydiao1025 / MacFrag
  ☆27Updated 2 years ago
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• mahendra-awale / medchem_moves
  ☆46Updated 4 years ago
• micahwang / RELATION
  ☆17Updated 2 years ago
• adalke / mmpdb
  A package to identify matched molecular pairs and use them to predict property changes.
  ☆24Updated last year
• molinfo-vienna / apo2ph4
  A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening
  ☆29Updated 2 months ago
• IFMlab / ChemFlow
  Computational Chemistry Workflows
  ☆54Updated 3 years ago
• oxpig / DEVELOP
  ☆55Updated last year
• Laboratoire-de-Chemoinformatique / Synt-On
  Open-source tool for synthons-based library design.
  ☆81Updated 7 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• schwallergroup / augmented_memory
  Augmented Memory and Beam Enumeration implementation
  ☆25Updated last year
• PatWalters / TS
  Thompson Sampling
  ☆71Updated 3 months ago
• MorganCThomas / MolScore_examples
  Examples of MolScore implementations
  ☆9Updated last year
• hnlab / BindingNet
  ☆26Updated last year
• oxpig / MolSnapper
  ☆50Updated 3 months ago
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆31Updated 2 months ago
• giaguaro / PROTACable
  PROTACable is an end-to-end in-silico design toolkit for novel PROTACs
  ☆29Updated last year
• litfsindt / LIT-SpaceDock
  ☆16Updated last year
• healx / lig3dlens
  ☆55Updated 5 months ago
• YanjunLi-CS / dyscore
  Open source code for DyScore
  ☆20Updated 2 years ago
• bigginlab / ABFE_workflow
  This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.
  ☆50Updated 4 months ago
• cimm-kzn / 3D-MIL-QSAR
  Ligand bioactivity prediction
  ☆58Updated last year
• uibcdf / OpenPharmacophore
  An open library to work with pharmacophores.
  ☆45Updated 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…
  ☆61Updated last year
• WIMNZhao / AIR
  AI-augmented R-group exploration in medicinal chemistry
  ☆17Updated 10 months ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• meddwl / psearch
  3D ligand-based pharmacophore modeling
  ☆50Updated 3 months ago
• RPirie96 / RGMolSA
  ☆34Updated last year