yuanqm55 / GraphPPIS
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
- ☆10Updated last year
- ☆50Updated 5 months ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆27Updated 4 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆30Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 2 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆61Updated 9 months ago
- Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)☆31Updated last year
- ☆20Updated 2 years ago
- ☆24Updated 10 months ago
- ☆21Updated this week
- ISMB-24/Bioinformatics: Tertiary Structure-based RNA Inverse Folding with Generative Diffusion Models☆35Updated 2 months ago
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆57Updated 7 months ago
- ☆34Updated last year
- ☆38Updated last year
- Full-Atom Peptide Design based on Multi-modal Flow Matching (ICML 2024)☆57Updated 3 months ago
- Code for ICML 2024 paper "Learning to Predict Mutational Effects of Protein-Protein Interactions by Microenvironment-aware Hierarchical P…☆36Updated 3 months ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆28Updated last year
- ☆48Updated 2 years ago
- ☆16Updated 3 months ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆47Updated 2 weeks ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆40Updated last year
- 3D equivariant graph transformer for all-atom refinement of protein tertiary structures☆25Updated last year
- ☆46Updated 5 months ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆49Updated 3 years ago
- Code for "Protein Docking Model Evaluation by Graph Neural Networks"☆59Updated last year
- ☆33Updated last year
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆26Updated 11 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆51Updated last year
- ☆24Updated 3 months ago
- Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)☆42Updated 3 weeks ago