yuanqm55 / GraphPPIS
Protein-protein interacting site predictor using deep graph convolutional network
☆11Updated last year
Related projects ⓘ
Alternatives and complementary repositories for GraphPPIS
- ☆10Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆30Updated 2 years ago
- ☆49Updated 3 months ago
- ☆20Updated 2 years ago
- ☆24Updated 8 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆61Updated 7 months ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆53Updated 5 months ago
- Code for "Protein Docking Model Evaluation by Graph Neural Networks"☆58Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆28Updated 9 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆29Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆29Updated last year
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆28Updated 9 months ago
- ☆32Updated 2 years ago
- ☆31Updated 9 months ago
- ☆48Updated 2 years ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆24Updated 2 months ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆28Updated 2 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆42Updated last year
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆58Updated 3 months ago
- ☆44Updated 2 months ago
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆25Updated 8 months ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆49Updated 2 years ago
- ☆35Updated last year
- Neural relational inference for molecular dynamics simulations☆54Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆43Updated last year
- 3D_Molecular_Generation☆79Updated last year
- DeepCDA☆12Updated 4 years ago
- Diffusion model based protein-ligand flexible docking method☆91Updated 3 weeks ago
- This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representati…☆42Updated 11 months ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆82Updated 5 months ago