yazdanimehdi / DeepDrugDomain
DeepDrugDomain: A versatile Python toolkit for streamlined preprocessing and accurate prediction of drug-target interactions and binding affinities, leveraging deep learning for advancing computational drug discovery.
☆21Updated 3 weeks ago
Related projects ⓘ
Alternatives and complementary repositories for DeepDrugDomain
- ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.☆46Updated 2 months ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆25Updated 6 months ago
- Drug Target Interaction Prediction Using Protein Binding Sites And Drug Fragments☆11Updated 11 months ago
- [ICLR 2024] ProFSA: Self-supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment☆12Updated 5 months ago
- This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representati…☆42Updated 11 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆61Updated 7 months ago
- ☆43Updated 2 months ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆25Updated 8 months ago
- The Enhanced Database of Interacting Protein Structures for Interface Prediction☆48Updated last year
- Code for our Nature Scientific Reports paper "A universal framework for accurate and efficient geometric deep learning of molecular syste…☆53Updated 3 weeks ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆31Updated 6 months ago
- Multi-modal co-attention for drug-target interaction annotation and Its Application to SARS-CoV-2☆16Updated last year
- Official implementation of DrugGEN☆51Updated 3 months ago
- Molecular vectorization and batch generation☆51Updated 3 years ago
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆84Updated 2 months ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆25Updated 2 years ago
- ISMB-24/Bioinformatics: Tertiary Structure-based RNA Inverse Folding with Generative Diffusion Models☆29Updated this week
- ☆44Updated 9 months ago
- a deep learning architecture for protein-ligand binding affinity prediction☆64Updated 10 months ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆59Updated last month
- This repo contains the codes for our paper "End-to-End Full-Atom Antibody Design"☆93Updated 7 months ago
- AGILE Platform: A Deep Learning-Powered Approach to Accelerate LNP Development for mRNA Delivery☆29Updated 3 months ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆69Updated 6 months ago
- PocketDTA☆15Updated 3 weeks ago
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆64Updated 3 weeks ago
- An open-source deep learning framework for data mining of protein-protein interfaces or single-residue variants.☆40Updated 2 months ago
- ☆38Updated 2 years ago
- ☆15Updated 4 months ago
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆42Updated 3 weeks ago
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆44Updated 3 weeks ago