Alternatives and similar repositories for RosENet

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

• oxpig / DEVELOP
  ☆56Updated last year
• jacquesboitreaud / OptiMol
  Optimization of binding affinities in chemical space for drug discovery
  ☆36Updated 2 years ago
• fimrie / DeLinker
  ☆38Updated 4 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• mahendra-awale / medchem_moves
  ☆45Updated 4 years ago
• hnlab / BindingNet
  ☆25Updated 11 months ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• biomed-AI / DRlinker
  ☆24Updated 2 years ago
• gnina / scripts
  ☆26Updated last year
• fimrie / DEVELOP
  ☆14Updated 3 years ago
• grisoniFr / whales_descriptors
  python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors
  ☆26Updated 3 years ago
• hassanmohsin / DLSCORE-CNN
  ☆14Updated 4 years ago
• cieplinski-tobiasz / smina-docking-benchmark
  ☆73Updated 2 years ago
• kimeguida / ProCare
  ProCare: A Point Cloud Registration Approach to Align Protein Cavities
  ☆29Updated 2 years ago
• maxime-langevin / scaffold-constrained-generation
  ☆37Updated 4 years ago
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆42Updated 2 years ago
• CanisW / TF3P
  Three-dimensional force fields fingerprints
  ☆28Updated 3 years ago
• liutairan / eMolFrag
  eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.
  ☆49Updated 4 years ago
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• jaimergp / autodocktools-prepare-py3k
  Python 3 fork for the preparation scripts contained in AutoDockTools
  ☆20Updated 3 years ago
• jaechanglim / GGM
  graph generative model for molecule
  ☆39Updated 5 years ago
• wyji001 / Point-Cloud
  ☆21Updated 3 years ago
• kimeguida / POEM
  Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition
  ☆14Updated 2 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
• LBC-LNBio / parKVFinder
  parKVFinder: thread-level parallel KVFinder
  ☆14Updated 3 weeks ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆44Updated last year
• 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 3 years ago
• wsjeon92 / FP2VEC
  ☆17Updated 5 years ago
• keiserlab / autofragdiff
  Autoregressive fragment-based diffusion for target-aware ligand design
  ☆29Updated last year
• Vfold-RNA / RLDOCK
  ☆33Updated last year