lijianing0902 / CProMG
☆11Updated last year
Alternatives and similar repositories for CProMG:
Users that are interested in CProMG are comparing it to the libraries listed below
- ☆48Updated last year
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆64Updated last year
- HyperAttentionDTI: improving drug–protein interaction prediction by sequence-based deep learning with attention mechanism. This repositor…☆41Updated 3 years ago
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆91Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- ☆71Updated last year
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆47Updated last year
- Sequence-Structure-Surface Model for Protein Fitness Prediction (S3F)☆31Updated 4 months ago
- ☆50Updated 8 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆31Updated this week
- ☆58Updated last year
- Pretrainable geometric graph neural network for antibody affinity maturation☆52Updated last month
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆12Updated 3 years ago
- ☆44Updated last year
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- Geometry Deep Learning for Drug Discovery and Life Science☆67Updated last year
- S-PLM: Structure-aware Protein Language Model via Contrastive Learning between Sequence and Structure☆62Updated 2 months ago
- ☆25Updated last year
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆31Updated 11 months ago
- ☆68Updated 4 years ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- Antibody-Antigen Docking and Affinity Benchmark☆71Updated 4 years ago
- Diffusion model based protein-ligand flexible docking method☆104Updated 5 months ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆45Updated last year
- ☆36Updated 10 months ago
- This repository contains the code for the work on protein-ligand interaction with GNNs and XAI☆35Updated last year
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆38Updated 11 months ago
- Antibody paratope prediction using Graph Neural Networks with minimal feature vectors☆36Updated 2 years ago
- ☆11Updated last year
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆21Updated this week