Alternatives and similar repositories for ChemistGA:

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

• micahwang / RELATION
  ☆16Updated 2 years ago
• biomed-AI / DRlinker
  ☆24Updated 2 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• deep-scaffold / deep_scaffold
  ☆25Updated 5 years ago
• MolecularAI / DockStreamCommunity
  ☆26Updated 2 years ago
• oxpig / DEVELOP
  ☆55Updated last year
• MolecularAI / Lib-INVENT
  ☆56Updated 2 years ago
• ziqi92 / Modof
  Molecule Optimization via Fragment-based Generative Models
  ☆42Updated 2 years ago
• hnlab / BindingNet
  ☆25Updated 10 months ago
• qiangbo1222 / Uni-RXN-official
  ☆27Updated last year
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆42Updated 10 months ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆44Updated last year
• giovanni-bolcato / deepFMPOv3D
  Implementation of Shape and Electrostatic similarity metric in deepFMPO.
  ☆43Updated 3 years ago
• clinfo / SBMolGen
  ☆43Updated 3 years ago
• illidanlab / MolSearch
  Implementation of MolSearch paper
  ☆22Updated last year
• grisoniFr / scaffold_hopping_whales
  Code to perform scaffold hopping and virtual screening using WHALES descriptors.
  ☆31Updated 4 years ago
• IDEA-XL / LigUnity
  Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…
  ☆17Updated 2 months ago
• 5AGE-zhang / TocoDecoy
  ☆12Updated 3 years ago
• pfizer-opensource / transform-molecules
  ☆16Updated 2 years ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated last year
• mathcom / COMA
  COMA: Efficient Structure-constrained Molecular Generation using Contractive and Margin losses
  ☆18Updated last year
• ecust-hc / ScaffoldGVAE
  ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…
  ☆38Updated last year
• prokia / deepHops
  source code for deppHop
  ☆36Updated 2 years ago
• MolFilterGAN / MolFilterGAN
  ☆14Updated 2 years ago
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆28Updated last year
• rxn4chemistry / disconnection_aware_retrosynthesis
  ☆30Updated 2 years ago
• DrugAI / ACNet
  ☆14Updated 2 years ago
• tiantz17 / MolSHAP
  Source code for paper "MolSHAP: Interpreting Structure-Activity Relationships for Compound Optimization"
  ☆24Updated last year
• yydiao1025 / MacFrag
  ☆26Updated 2 years ago
• iipharma / transpharmer-repo
  ☆33Updated last month