Alternatives and similar repositories for SyntaLinker

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

• deep-scaffold / deep_scaffold
  ☆25Updated 6 years ago
• oxpig / DEVELOP
  ☆56Updated last year
• clinfo / SBMolGen
  ☆42Updated 3 years ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆47Updated 2 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆45Updated last year
• MolecularAI / Lib-INVENT
  ☆61Updated 2 years ago
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆33Updated 4 years ago
• meddwl / psearch
  3D ligand-based pharmacophore modeling
  ☆52Updated 7 months ago
• micahwang / RELATION
  ☆17Updated 3 years ago
• biomed-AI / DRlinker
  ☆26Updated 3 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆22Updated 2 years ago
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆43Updated last year
• fimrie / DeLinker
  ☆38Updated 4 years ago
• yydiao1025 / MacFrag
  ☆29Updated 2 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated 2 years ago
• KeenThera / SECSE
  Systemic Evolutionary Chemical Space Exploration for Drug Discovery
  ☆86Updated 3 months ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆40Updated 6 years ago
• j9650 / MedusaGraph
  ☆28Updated 3 years ago
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• jenniening / deltaVinaXGB
  This is a machine-learning based protein-ligand scoring function.
  ☆52Updated 5 years ago
• MolecularAI / DockStreamCommunity
  ☆27Updated 2 years ago
• hnlab / BindingNet
  ☆26Updated last year
• maxime-langevin / scaffold-constrained-generation
  ☆41Updated 5 years ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆50Updated 5 years ago
• LondonLab / PRosettaC
  ☆33Updated 3 years ago
• MorganCThomas / SMILES-RNN
  Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation
  ☆65Updated last month
• smu-tao-group / ADMET_XGBoost
  Accurate ADMET Prediction with XGBoost
  ☆40Updated 2 years ago
• tblaschke / reinvent-memory
  Code for memory-assisted reinforcement learning
  ☆23Updated 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
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago