Alternatives and similar repositories for GEOM-CVAE

Users that are interested in GEOM-CVAE are comparing it to the libraries listed below

• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆46Updated 2 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆14Updated last year
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆63Updated last year
• micahwang / RELATION
  ☆17Updated 2 years ago
• DrugAI / ACNet
  ☆16Updated 3 years ago
• admislf / MINN-DTI
  Effective drug-target interaction prediction with mutual interaction neural network
  ☆33Updated 3 years ago
• j9650 / MedusaGraph
  ☆28Updated 3 years ago
• wzxxxx / MGA
  MGA
  ☆44Updated 4 years ago
• hnlab / BindingNet
  ☆25Updated last year
• mldlproject / 2021-iCYP-MFE
  Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…
  ☆17Updated 2 years ago
• BFeng14 / ActFound
  Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning
  ☆42Updated 10 months ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆43Updated last year
• mindrank-ai / PharmaBench
  ☆46Updated last year
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆42Updated last year
• pfizer-opensource / transform-molecules
  ☆17Updated 2 years ago
• stonewiseAIDrugDesign / Lingo3DMol
  ☆58Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• Shihang-Wang-58 / DeepSA
  A Deep-learning Driven Predictor of Compound Synthesis Accessibility
  ☆32Updated 2 months ago
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆30Updated 2 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• viko-3 / TargetGAN
  ☆28Updated 2 years ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• clinfo / SBMolGen
  ☆42Updated 3 years ago
• zhangruochi / MolFeSCue
  ☆12Updated last year
• tiantz17 / CARA
  Benchmarking compound activity prediction for real-world drug discovery applications
  ☆14Updated last year
• oxpig / DEVELOP
  ☆55Updated last year
• m-mokaya / RIOP
  ☆17Updated 2 years ago
• guaguabujianle / GIGN
  ☆45Updated 2 years ago
• OdinZhang / SDEGen
  ☆23Updated 2 years ago