Alternatives and similar repositories for RosENet

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

• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆35Updated 2 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆40Updated 5 years ago
• oxpig / DEVELOP
  ☆56Updated last year
• cieplinski-tobiasz / smina-docking-benchmark
  ☆76Updated 3 years ago
• gnina / scripts
  ☆26Updated 2 years ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 6 years ago
• CanisW / TF3P
  Three-dimensional force fields fingerprints
  ☆28Updated 3 years ago
• jenniening / deltaVinaXGB
  This is a machine-learning based protein-ligand scoring function.
  ☆52Updated 5 years ago
• stan-his / DeepFMPO
  Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"
  ☆70Updated 4 years ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆50Updated 5 years ago
• mahendra-awale / medchem_moves
  ☆47Updated 5 years ago
• hnlab / can-ai-do
  Predicting or pretending: artificial intelligence for protein-ligand interactions lack of sufficiently large and unbiased datasets
  ☆12Updated 4 years ago
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆30Updated 2 years ago
• wsjeon92 / morld
  ☆28Updated 2 years ago
• zhenglz / onionnet
  A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction
  ☆81Updated 5 years ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆40Updated 5 years ago
• iwatobipen / py4chemoinformatics
  Python for chemoinformatics
  ☆52Updated 6 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆22Updated 2 years ago
• grisoniFr / whales_descriptors
  python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors
  ☆27Updated 4 years ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆47Updated 2 years ago
• MolecularAI / Icolos
  Icolos: A workflow manager for structure based post-processing of de novo generated small molecules
  ☆55Updated 2 years ago
• illidanlab / MolSearch
  Implementation of MolSearch paper
  ☆23Updated 2 years ago
• hnlab / BindingNet
  ☆25Updated last year
• fimrie / DEVELOP
  ☆14Updated 3 years ago
• hassanmohsin / DLSCORE-CNN
  ☆14Updated 5 years ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 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
• YuYaoYang2333 / SyntaLinker
  Automatic Fragment Linking with Deep Conditional Transformer Neural Networks
  ☆56Updated 3 years ago
• biomed-AI / DRlinker
  ☆26Updated 3 years ago