ngminhtri0394 / MACDA

Related projects: ⓘ

• ngminhtri0394 / GEFA
  Implementation of GEFA: Early Fusion Approach in Drug-Target Affinity Prediction
  ☆20Updated 3 years ago
• MinkaiXu / ConfVAE-ICML21
  An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)
  ☆51Updated 3 years ago
• ninglab / Modof
  The implementation of Modof for Molecule Optimization
  ☆27Updated 11 months ago
• anny0316 / Drug3D-Net
  A Spatial-temporal Gated Attention Module for Molecular Property Prediction Based on Molecular Geometry
  ☆30Updated 3 years ago
• XuanLin1991 / DeepGS
  DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)
  ☆26Updated 3 years ago
• m-mokaya / RIOP
  ☆14Updated last year
• ml-jku / MHNfs
  ☆13Updated 5 months ago
• YinanHuang / 3DLinker
  An E(3) Equivariant Variational Autoencoder for Molecular Linker Design
  ☆45Updated last year
• zhaoqichang / AttentionDTA_BIBM
  AttentionDTA: prediction of drug–target binding affinity using attention model.https://ieeexplore.ieee.org/abstract/document/8983125
  ☆13Updated 4 years ago
• dbkgroup / prop_gen
  A novel hybrid method for generating molecules with desired property scores.
  ☆39Updated 2 years ago
• zaixizhang / FLAG
  Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"
  ☆59Updated 5 months ago
• blackmints / 3DGCN
  Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation
  ☆55Updated 5 years ago
• MLlab4CS / DeepGLSTM
  ☆15Updated last year
• LBBSoft / DeepCDA
  DeepCDA
  ☆12Updated 4 years ago
• IBM / InterpretableDTIP
  InterpretableDTIP
  ☆19Updated 6 years ago
• georgelamb19 / chempropBayes
  Bayesian MPNNs for Molecular Property Prediction
  ☆27Updated 3 years ago
• Rose-STL-Lab / LIMO
  generative model for drug discovery
  ☆59Updated 9 months ago
• idrugLab / hignn
  Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"
  ☆44Updated last year
• danielflamshep / xyztransformer
  coming soon
  ☆28Updated last year
• DeepGraphLearning / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆22Updated 3 years ago
• AITRICS / FREED
  Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)
  ☆49Updated 2 years ago
• wxfsd / C-SGEN
  ☆24Updated this week
• MinkaiXu / CGCF-ConfGen
  Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)
  ☆44Updated 3 years ago
• gicsaw / ARAE_SMILES
  ☆24Updated 3 years ago
• phermosilla / IEConv_proteins
  Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures
  ☆49Updated 2 years ago
• jaechanglim / DTI_PDBbind
  ☆31Updated 2 years ago
• kexinhuang12345 / CASTER
  CASTER: Predicting Drug Interactions with Chemical Substructure Representation (AAAI 2020)
  ☆26Updated 3 years ago
• keiserlab / autofragdiff
  ☆23Updated 3 months ago
• SeonghwanSeo / BBAR
  Official Github for "Molecular generative model via retrosynthetically prepared chemical building block assembly" (Advanced Science)
  ☆27Updated last month
• fork123aniket / Molecule-Graph-Generation
  Molecule Graph Generation using Graph Convolutional Networks-based Variational Graph AutoEncoders (VGAE) in PyTorch
  ☆20Updated last year