gaojianl / TransFoxMolLinks
☆15Updated 8 months ago
Alternatives and similar repositories for TransFoxMol
Users that are interested in TransFoxMol are comparing it to the libraries listed below
Sorting:
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ☆75Updated last year
- MGA☆43Updated 4 years ago
- 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
- 3D_Molecular_Generation☆96Updated 7 months ago
- ☆62Updated last year
- This repository contains the code for the work on protein-ligand interaction with GNNs and XAI☆35Updated last year
- ☆25Updated last year
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated last year
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆13Updated 3 years ago
- ☆133Updated 8 months ago
- Diffusion model based protein-ligand flexible docking method☆106Updated 8 months ago
- Geometry Deep Learning for Drug Discovery and Life Science☆70Updated last year
- ☆57Updated last year
- ☆114Updated 11 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆50Updated last month
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆39Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆53Updated last month
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 3 years ago
- a multi-property optimization method.☆33Updated 7 months ago
- ☆10Updated last year
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆111Updated last year
- ☆43Updated last year
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆98Updated last year
- ☆52Updated 10 months ago
- ☆18Updated 6 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 2 years ago
- ET-Tox☆11Updated 9 months ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆32Updated last year