jaechanglim / DTI_PDBbindLinks
☆32Updated 3 years ago
Alternatives and similar repositories for DTI_PDBbind
Users that are interested in DTI_PDBbind are comparing it to the libraries listed below
Sorting:
- graph generative model for molecule☆39Updated 5 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆29Updated last year
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- ScaffoldGVAE: A Variational Autoencoder Based on Multi-View Graph Neural Networks for Scaffold Generation and Scaffold Hopping of Drug Mo…☆40Updated last year
- ☆21Updated 3 years ago
- ☆37Updated 4 years ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆65Updated 6 months ago
- PIGNet source code☆51Updated 3 years ago
- ☆56Updated last year
- ☆67Updated 4 years ago
- ☆15Updated 3 years ago
- ☆44Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆67Updated last year
- ☆23Updated last year
- ☆32Updated 2 years ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆53Updated 3 years ago
- Implementation of the Kdeep Paper☆21Updated 4 years ago
- Official implementation of "PIGNet2: a versatile deep learning-based proteinligand interaction prediction model for binding affinity scor…☆18Updated 5 months ago
- ☆57Updated 2 years ago
- ☆37Updated 4 years ago
- ☆17Updated 2 years ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆47Updated last year
- Official Github for "3D Molecular Generative Framework for Interaction-guided Drug Design" (Nature Communications)☆61Updated 11 months ago
- Fragment-based Molecular Expansion☆20Updated last year
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆68Updated 2 weeks ago
- ☆24Updated 11 months ago
- MGA☆43Updated 4 years ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆19Updated last year
- ☆33Updated 2 months ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆60Updated 11 months ago