CSBG-LSU / BionoiNetLinks
Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.
☆20Updated 4 years ago
Alternatives and similar repositories for BionoiNet
Users that are interested in BionoiNet are comparing it to the libraries listed below
Sorting:
- A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13☆30Updated 6 years ago
- mGPfusion is a Gaussian process based method for predicting stability changes upon single and multiple mutations of proteins that comple…☆15Updated 7 years ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28Updated 4 years ago
- Protein-ligand binding sites prediction toolkits☆21Updated 6 years ago
- ☆31Updated 7 years ago
- Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking☆13Updated 4 years ago
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆22Updated 3 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 5 years ago
- Computes a molecular graph for protein structures.☆58Updated last week
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆44Updated 2 years ago
- Structure-informed machine learning for kinase modeling☆57Updated last week
- PCA and normal mode analysis of proteins☆18Updated last year
- Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."☆70Updated last year
- Voronota is a software tool for analyzing three-dimensional structures of biological macromolecules using the Voronoi diagram of atomic b…☆36Updated last week
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆32Updated 5 years ago
- Learning with uncertainty for biological discovery and design☆34Updated 2 years ago
- Paratope Prediction using Deep Learning☆60Updated 2 years ago
- Model to predict kinase-ligand pKi values.☆12Updated 2 years ago
- Guided Conditional Wasserstein GAN for De Novo Protein Design☆37Updated 4 years ago
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- Molecular docking with Alchemical Interaction Grids☆29Updated 2 weeks ago
- Machine Learning Designs Non-Hemolytic Antimicrobial Peptides☆35Updated 4 years ago
- Protein-Ligand Interaction Fingerprints☆20Updated 4 years ago
- ☆28Updated 2 years ago
- ☆30Updated 4 months ago
- Conda build recipe for the rdkit☆51Updated 3 years ago
- Protein design and variant prediction using autoregressive generative models☆24Updated 2 years ago
- Peptide optimization with Machine Learning☆77Updated 2 years ago
- ResPRE is an algorithm for protein residue-residue contact-map prediction☆21Updated 6 years ago