FausticSun / DeepPLLinks
Predicting Protein – Ligand Interaction by using Deep Learning Models
☆11Updated 7 years ago
Alternatives and similar repositories for DeepPL
Users that are interested in DeepPL are comparing it to the libraries listed below
Sorting:
- ☆30Updated 6 months ago
- a protein descriptor for site prediction☆16Updated 6 years ago
- Supporting code for the paper «Leveraging molecular structure and bioactivity with chemical language models for drug design»☆11Updated 3 years ago
- Structural space exploration of AlphaFold DB☆12Updated 4 years ago
- A web app to convert a PyMOL PSE file or PDB file to a easy to implement NGL.js view that can be implemented easily on any site☆12Updated 4 years ago
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆22Updated 3 years ago
- A DDG benchmark capture containing the benchmark dataset and benchmarked protocol captures.☆17Updated 9 years ago
- Web cards/apps describing peptides☆30Updated 2 years ago
- ☆13Updated 5 years ago
- Bayesian Active Learning for Optimization and Uncertainty Quantification with Applications to Protein Docking☆13Updated 4 years ago
- SE(3)-equivariant point cloud networks for virtual screening☆24Updated 2 years ago
- some tools for working with protein (PDB) files in tensorflow☆11Updated 6 years ago
- ☆31Updated 7 years ago
- Ligand binding site prediction and virtual screening☆12Updated 7 years ago
- Spatiotemporal identification of druggable binding sites using deep learning☆22Updated 4 years ago
- Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."☆70Updated last year
- Protein-Ligand Interaction Fingerprints☆21Updated 4 years ago
- ☆15Updated 5 years ago
- PCA and normal mode analysis of proteins☆18Updated last year
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆43Updated 2 years ago
- FingerPrint Kit - Python-based cheminformatics package for fingerprint-related tasks☆12Updated 5 months ago
- ☆13Updated 4 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆18Updated 2 years ago
- Improved Scaffold Hopping in Ligand-based Virtual Screening Using Neural Representation Learning☆21Updated 4 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- PDNET: A fully open-source framework for deep learning protein real-valued distances☆36Updated 4 years ago
- MEGADOCK on Google Colaboratory☆19Updated 2 years ago
- ☆14Updated 3 years ago
- Rosetta FunFolDes – a general framework for the computational design of functional proteins.☆21Updated 6 years ago
- A collection of tools that generate and analyse side-chain rotamer libraries☆10Updated 2 weeks ago