yuanqm55 / GraphPPISLinks
Protein-protein interacting site predictor using deep graph convolutional network
☆12Updated 2 years ago
Alternatives and similar repositories for GraphPPIS
Users that are interested in GraphPPIS are comparing it to the libraries listed below
Sorting:
- ☆10Updated last year
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆30Updated 9 months ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆31Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆67Updated last year
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 3 years ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆29Updated last year
- ☆20Updated 2 years ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆58Updated last year
- ☆53Updated 10 months ago
- ☆15Updated 5 months ago
- ☆28Updated 3 months ago
- ☆43Updated last year
- Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)☆36Updated last year
- Evaluating Protein Binding Interfaces with Transformer Networks☆45Updated last year
- DeepCDA☆14Updated 5 years ago
- Official repository of ReactZyme☆33Updated 8 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 5 months ago
- ☆26Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- ☆18Updated last year
- ☆26Updated 8 months ago
- Reaction-Conditioned Virtual Screening of Enzymes☆35Updated 2 weeks ago
- ☆21Updated 3 years ago
- ☆21Updated last year
- ☆44Updated last year
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆28Updated 4 months ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆47Updated 3 years ago
- ☆57Updated last year
- ☆23Updated last year