lijianing0902 / CProMGLinks
☆12Updated last year
Alternatives and similar repositories for CProMG
Users that are interested in CProMG are comparing it to the libraries listed below
Sorting:
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆68Updated last year
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ESM-GearNet for Protein Structure Representation Learning (https://arxiv.org/abs/2303.06275)☆109Updated last year
- ☆25Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 2 years ago
- ☆75Updated last year
- ☆133Updated 8 months ago
- Pretrainable geometric graph neural network for antibody affinity maturation☆59Updated 3 months ago
- ☆52Updated 10 months ago
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆13Updated 3 years ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆111Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆50Updated last month
- This repository contains the code for the work on protein-ligand interaction with GNNs and XAI☆35Updated last year
- ☆49Updated last year
- ☆114Updated 11 months ago
- Diffusion model based protein-ligand flexible docking method☆106Updated 8 months ago
- ☆62Updated last year
- my own studied materials and scripts☆51Updated 2 months ago
- ☆37Updated last year
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 3 years ago
- Geometry Deep Learning for Drug Discovery and Life Science☆70Updated last year
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆102Updated 4 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆53Updated last month
- ☆45Updated last year
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆45Updated 5 months ago
- MGA☆43Updated 4 years ago
- 3D_Molecular_Generation☆96Updated 7 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆39Updated last year
- ☆63Updated 2 years ago
- Scripts for virtual screening, cross docking and protein relax using Schrödinegr and Rosetta☆76Updated 3 months ago