lupoglaz / DeepLocalProteinDockingLinks
Learning protein representation for rigid-body docking
☆22Updated 5 years ago
Alternatives and similar repositories for DeepLocalProteinDocking
Users that are interested in DeepLocalProteinDocking are comparing it to the libraries listed below
Sorting:
- ☆37Updated 4 years ago
- Code for "A Deep Learning Framework for Flexible Docking and Design"☆16Updated 3 years ago
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆32Updated 5 years ago
- Guided Conditional Wasserstein GAN for De Novo Protein Design☆37Updated 4 years ago
- Protein-Protein Docking using Genetic Algorithm☆18Updated last year
- ☆35Updated 3 years ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆29Updated 10 months ago
- Open Drug Discovery Toolkit (ODDT) Notebooks 101☆19Updated 7 years ago
- A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction☆81Updated 4 years ago
- ☆26Updated 2 years ago
- ☆13Updated 8 years ago
- ☆75Updated 3 years ago
- Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure☆52Updated 7 months ago
- Generative RNN for molecule de novo design☆19Updated 3 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 5 years ago
- iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machi…☆31Updated 3 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- ☆20Updated 4 years ago
- Code and data used in https://doi.org/10.1101/2021.08.01.454656☆53Updated 3 years ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆26Updated 4 years ago
- Datasets for P2Rank project. https://github.com/rdk/p2rank☆25Updated 11 months ago
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆30Updated last year
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆44Updated 2 years ago
- Implementation of MolSearch paper☆22Updated 2 years ago
- dMaSIF implementation for google colab☆34Updated 2 years ago
- Colab version of "DiffDock: : Diffusion Steps, Twists, and Turns for Molecular Docking"☆26Updated 2 years ago
- Peptide optimization with Machine Learning☆77Updated 2 years ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…☆37Updated 3 years ago
- Molecular docking with Alchemical Interaction Grids☆29Updated last month