zhang-xuan1314 / Molecular-graph-BERT

Related projects ⓘ

Alternatives and complementary repositories for Molecular-graph-BERT

• wzxxxx / Knowledge-based-BERT
  K-BERT for molecular property prediction.
  ☆27Updated 2 years ago
• JU-HuaY / MFR
  ☆10Updated last year
• agave233 / SIGN
  Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…
  ☆36Updated 2 years ago
• CSUBioGroup / PGMG
  The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.
  ☆54Updated last year
• 595693085 / DGraphDTA
  a novel DTA predition method using graph neural network
  ☆70Updated last year
• guaguabujianle / MGraphDTA
  ☆44Updated 2 months ago
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆27Updated last year
• otori-bird / retrosynthesis
  ☆62Updated 6 months ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆61Updated 7 months ago
• SY575 / CMPNN
  ☆72Updated last year
• yvquanli / GLAM
  Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".
  ☆40Updated last year
• uta-smile / RetroXpert
  ☆63Updated 3 years ago
• uta-smile / SMILES-BERT
  ☆43Updated 4 years ago
• DirectMolecularConfGen / DMCG
  ☆48Updated 2 years ago
• Saoge123 / ccgnet
  ☆38Updated 8 months ago
• zaixizhang / Awesome-SBDD
  Papers about Structure-based Drug Design (SBDD)
  ☆85Updated 2 weeks ago
• sc8668 / RTMScore
  ☆88Updated last year
• shenwanxiang / ChemBench
  MoleculeNet benchmark dataset & MolMapNet dataset
  ☆61Updated 2 years ago
• prokia / drugVQA
  Predicting Drug Protein Interaction using Quasi-Visual Question Answering System
  ☆110Updated 3 months ago
• KailiWang1 / DeepDTAF
  a deep learning architecture for protein-ligand binding affinity prediction
  ☆64Updated 10 months ago
• deargen / mt-dti
  An official Molecule Transformer Drug Target Interaction (MT-DTI) model
  ☆34Updated 4 years ago
• kaist-amsg / LocalTransform
  Predicting Organic Reactivity with LocalTransform
  ☆37Updated 4 months ago
• idrugLab / FP-GNN
  ☆56Updated last year
• dbkgroup / prop_gen
  A novel hybrid method for generating molecules with desired property scores.
  ☆41Updated 3 years ago
• ETHmodlab / BIMODAL
  Supporting code for the paper "Bidirectional Molecule Generation with Recurrent Neural Networks" (J. Chem. Inf. 2020, 60, 3).
  ☆53Updated 4 years ago
• jaechanglim / GNN_DTI
  ☆66Updated 4 years ago
• yuewan2 / Retroformer
  ☆44Updated 2 years ago
• jkwang93 / MCMG
  MCMG_V1
  ☆69Updated last year
• zjujdj / InteractionGraphNet
  InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…
  ☆43Updated last year
• guaguabujianle / ML-DTI
  ☆12Updated 3 years ago