yazdanimehdi / DeepDrugDomainLinks
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.
☆26Updated last year
Alternatives and similar repositories for DeepDrugDomain
Users that are interested in DeepDrugDomain are comparing it to the libraries listed below
Sorting:
- Official implementation of DrugGEN: Target Specific De Novo Design of Drug Candidate Molecules with Graph Transformer-based Generative Ad…☆89Updated last month
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆34Updated last year
- DrugHIVE: Structure-based drug design with a deep hierarchical generative model☆105Updated last year
- RXN for biochemical reactions☆72Updated 3 years ago
- PocketDTA☆37Updated 3 weeks ago
- Code for "Protein Docking Model Evaluation by Graph Neural Networks"☆59Updated 2 years ago
- Graph Network for protein-protein interface☆120Updated last year
- Molecular Reinforcement Learning☆14Updated 2 years ago
- Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.☆27Updated last year
- Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."☆70Updated last year
- a deep learning architecture for protein-ligand binding affinity prediction☆76Updated last year
- Toolkit for structure-based deep learning on RNA.☆44Updated last month
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆52Updated 4 months ago
- ☆84Updated 6 months ago
- ☆56Updated last year
- ☆54Updated last year
- SELFormer: Molecular Representation Learning via SELFIES Language Models☆105Updated last year
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆31Updated last year
- dMaSIF implementation for google colab☆35Updated 2 years ago
- This is the official repository of paper - GeoAB: Towards Realistic Antibody Design and Reliable Affinity Maturation (ICML2024)☆42Updated last year
- ☆50Updated 11 months ago
- The code for "Learning Molecular Representation in a Cell"☆37Updated 9 months ago
- ☆114Updated 3 years ago
- ☆30Updated last month
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆71Updated 9 months ago
- A 3D-equivariant neural network for protein structure accuracy estimation☆20Updated 2 years ago
- ☆64Updated 3 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆28Updated 3 years ago
- ☆35Updated 4 years ago
- ☆54Updated last year