Alternatives and similar repositories for GEOM-CVAE:

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

• micahwang / RELATION
  ☆16Updated 2 years ago
• j9650 / MedusaGraph
  ☆28Updated 2 years ago
• sun-heqi / MultiPPIMI
  A deep learning framework for predicting interactions between protein-protein interaction targets and modulators
  ☆15Updated last year
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆44Updated last year
• wzxxxx / MGA
  MGA
  ☆42Updated 4 years ago
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆29Updated last year
• akiyamalab / cycpeptmp
  Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides
  ☆21Updated last week
• OdinZhang / SDEGen
  ☆22Updated last year
• JU-HuaY / MFR
  ☆11Updated last year
• MolecularAI / Lib-INVENT-dataset
  ☆19Updated 2 years ago
• hnlab / BindingNet
  ☆24Updated 9 months ago
• ComputArtCMCG / PLANET
  ☆58Updated last year
• guaguabujianle / GIGN
  ☆40Updated last year
• zchwang / DeepRMSD-Vina_Optimization
  DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.
  ☆41Updated 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 last year
• mindrank-ai / PharmaBench
  ☆34Updated last year
• luoyunan / KDBNet
  Kinase–drug binding prediction with calibrated uncertainty quantification
  ☆23Updated last year
• oxpig / DEVELOP
  ☆55Updated last year
• Zhang-Runze / PackDock
  PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking
  ☆34Updated 6 months ago
• stonewiseAIDrugDesign / Lingo3DMol
  ☆52Updated last year
• admislf / MINN-DTI
  Effective drug-target interaction prediction with mutual interaction neural network
  ☆32Updated 2 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• zchwang / OnionNet-2
  OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.
  ☆16Updated last year
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• briandasantini / cPEPmatch
  Tool to design cyclic peptides that mimic proteins and target their binding partners.
  ☆10Updated 9 months ago
• DrugAI / ACNet
  ☆14Updated 2 years ago
• pfizer-opensource / transform-molecules
  ☆16Updated 2 years ago
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆26Updated 2 years ago
• karanicolaslab / PROTAC_ternary
  ☆18Updated 2 years ago
• jiaxianyan / DeltaDock
  ☆23Updated 6 months ago