gaojianl / TransFoxMol
☆16Updated 5 months ago
Alternatives and similar repositories for TransFoxMol:
Users that are interested in TransFoxMol are comparing it to the libraries listed below
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- a multi-property optimization method.☆31Updated 3 months ago
- Geometry Deep Learning for Drug Discovery and Life Science☆66Updated 11 months ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆21Updated 2 years ago
- ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.☆52Updated last month
- ☆10Updated last year
- 3D_Molecular_Generation☆85Updated 4 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆32Updated last year
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆44Updated last year
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆82Updated 11 months ago
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆61Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆49Updated 2 weeks ago
- ☆70Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆41Updated last year
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆12Updated 3 years ago
- ☆33Updated 11 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆37Updated 10 months ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆31Updated 10 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆15Updated last year
- Diffusion model based protein-ligand flexible docking method☆102Updated 5 months ago
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 2 years ago
- ☆24Updated last year
- ☆57Updated last year
- ☆38Updated last year
- K-BERT for molecular property prediction.☆29Updated 2 years ago
- ☆36Updated 10 months ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆30Updated 2 years ago
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆21Updated last month
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆63Updated 11 months ago
- ☆50Updated 7 months ago