yuanqm55 / GraphPPISLinks
Protein-protein interacting site predictor using deep graph convolutional network
☆11Updated 2 years ago
Alternatives and similar repositories for GraphPPIS
Users that are interested in GraphPPIS are comparing it to the libraries listed below
Sorting:
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- ☆10Updated 2 years ago
- ☆54Updated last year
- Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction (ICLR 2023)☆59Updated last year
- ☆20Updated 3 years ago
- ☆32Updated 7 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆35Updated 2 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- ☆31Updated last year
- Official repository of ReactZyme☆36Updated last year
- ☆26Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆38Updated 3 months ago
- Predicting mutational effects on protein-protein binding via a side-chain diffusion probabilistic model (NeurIPS 2023 Poster)☆37Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Updated last year
- a novel DTA predition method using graph neural network☆76Updated 2 years ago
- ☆64Updated 4 months ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 2 years ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆51Updated last year
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆39Updated 3 years ago
- ☆48Updated 2 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Updated last year
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆120Updated 8 months ago
- 3D_Molecular_Generation☆100Updated 11 months ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆114Updated last year
- ☆60Updated 3 years ago
- ☆76Updated 8 months ago
- ☆57Updated 3 months ago
- ☆33Updated 3 years ago