ngminhtri0394 / GEFA
Implementation of GEFA: Early Fusion Approach in Drug-Target Affinity Prediction
☆20Updated 4 years ago
Alternatives and similar repositories for GEFA:
Users that are interested in GEFA are comparing it to the libraries listed below
- Drug-target binding affinity counterfactual generation☆7Updated 3 years ago
- ☆17Updated last year
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆26Updated 4 years ago
- ☆48Updated 2 years ago
- a method for CPI and DTA prediction☆9Updated 2 years ago
- AlphaDrug: Protein Target Specific De Novo Molecular Generation☆37Updated 2 years ago
- ☆32Updated 2 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆62Updated 10 months ago
- ☆11Updated 4 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'☆28Updated 4 years ago
- ☆20Updated 2 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆45Updated 3 years ago
- Recent application of graph neural network in drug discovery☆10Updated 4 years ago
- coming soon☆28Updated last year
- ☆25Updated 8 months ago
- ☆18Updated 11 months ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆52Updated 2 years ago
- Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction☆36Updated last year
- ☆37Updated 4 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 2 years ago
- generative model for drug discovery☆59Updated last year
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆36Updated 5 months ago
- Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2☆16Updated last year
- Code for 'On Pre-trained Language Models For Antibody'☆32Updated 2 years ago
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆52Updated 8 months ago
- Implementation of MolSearch paper☆22Updated last year
- InterpretableDTIP☆19Updated 6 years ago
- Repo of pharmacophoric constrained heterogeneous-graph-transformer☆16Updated last year
- (differentiable) gradient-based optimization on a chemical graph for de novo molecule design/optimization (ICLR 2022)☆27Updated last year