ngminhtri0394 / GEFALinks
Implementation of GEFA: Early Fusion Approach in Drug-Target Affinity Prediction
☆21Updated 4 years ago
Alternatives and similar repositories for GEFA
Users that are interested in GEFA are comparing it to the libraries listed below
Sorting:
- Drug-target binding affinity counterfactual generation☆7Updated 4 years ago
- ☆21Updated last year
- Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'☆28Updated 4 years ago
- (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)☆29Updated last year
- ☆32Updated 3 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆66Updated last year
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆53Updated 3 years ago
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆26Updated 4 years ago
- ☆18Updated last year
- [Bioinformatics 2022] Cross-Modality and Self-Supervised Protein Embedding for Compound-Protein Affinity and Contact Prediction☆15Updated last year
- InterpretableDTIP☆20Updated 6 years ago
- a method for CPI and DTA prediction☆11Updated 2 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- A novel hybrid method for generating molecules with desired property scores.☆42Updated 3 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆53Updated last year
- generative model for drug discovery☆59Updated last year
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆40Updated 2 years ago
- ☆12Updated 3 years ago
- Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction☆36Updated last year
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆31Updated last year
- Code of our IJCAI2021 paper: "Learning Attributed Graph Representation with Communicative Message Passing Transformer"☆40Updated 3 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 3 years ago
- Work on designing a graph co-attention algorithm.☆18Updated last year
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- coming soon☆28Updated 2 years ago
- Recent application of graph neural network in drug discovery☆12Updated 5 years ago
- ☆17Updated 2 years ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆47Updated 3 years ago
- This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…☆42Updated 5 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 3 years ago