Alternatives and similar repositories for Modof

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

• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆28Updated last year
• OdinZhang / SDEGen
  ☆22Updated last year
• CMACH508 / KGDiff
  Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance
  ☆31Updated last year
• DirectMolecularConfGen / DMCG
  ☆55Updated 2 years ago
• jkwang93 / ChemistGA
  ☆24Updated 2 years ago
• Brian-hongyan / 3D-MCTS
  3D-MCTS: A general structure-based molecule generation method with MCTS.
  ☆42Updated 11 months ago
• HankerWu / TamGent
  Tailoring Molecules for Protein Pockets: a Transformer-based Generative Solution for Structured-based Drug Design
  ☆20Updated last year
• oxpig / DEVELOP
  ☆56Updated last year
• j9650 / MedusaGraph
  ☆28Updated 2 years ago
• DrugAI / ACNet
  ☆15Updated 2 years ago
• MatthewMasters / EDM-Dock
  ☆32Updated 2 years ago
• Chokyotager / NotYetAnotherNightshade
  Graph variational encoders for drug engineering and potentiation
  ☆29Updated last year
• chao1224 / GeoSSL
  GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…
  ☆45Updated last year
• micahwang / RELATION
  ☆17Updated 2 years ago
• bigchem / synthesis
  Contains results and data from Augmented Transformer article
  ☆38Updated 4 years ago
• knu-lcbc / RetroTRAE
  Retrosynthetic prediction with Atom Environments
  ☆37Updated 2 years ago
• MolecularAI / Lib-INVENT-dataset
  ☆20Updated 2 years ago
• zaixizhang / DrugGPS_ICML23
  Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"
  ☆29Updated last year
• anny0316 / GEOM-CVAE
  ☆15Updated 3 years ago
• keiradams / SQUID
  Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"
  ☆64Updated 5 months ago
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆44Updated last year
• qiangbo1222 / Uni-RXN-official
  ☆27Updated last year
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆66Updated last year
• juanniwu / t-SMILES
  ☆33Updated last month
• xianyuco / SS-GNN
  ☆26Updated 3 years ago
• stonewiseAIDrugDesign / Lingo3DMol
  ☆55Updated last year
• biomed-AI / DRlinker
  ☆24Updated 2 years ago
• tiejundong / FlexPose
  FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.
  ☆53Updated last year
• illidanlab / MolSearch
  Implementation of MolSearch paper
  ☆22Updated last year
• longlongman / DESERT
  Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)
  ☆34Updated 2 years ago