DeepRank / iScoreLinks
iScore: an MPI supported software for ranking protein-protein docking models based on a random walk graph kernel and support vector machines
☆31Updated 3 years ago
Alternatives and similar repositories for iScore
Users that are interested in iScore are comparing it to the libraries listed below
Sorting:
- ☆33Updated last year
- PyPEF – Pythonic Protein Engineering Framework☆24Updated last month
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆19Updated 4 years ago
- Scores for Hydrophobicity and Charges based on SASAs☆39Updated 5 months ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆29Updated 11 months ago
- Analysis of contacts in molecular dynamics trajectories☆44Updated 6 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆35Updated 4 months ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆43Updated 2 years ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Updated 4 years ago
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆43Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- Rosetta FunFolDes – a general framework for the computational design of functional proteins.☆21Updated 6 years ago
- ☆38Updated 4 years ago
- ☆13Updated 8 years ago
- Physical energy function for protein sequence design☆33Updated 2 years ago
- The code for the QuickVina homepage.☆35Updated 3 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Scripts to do docking, single virtual screening, and etc.☆20Updated last year
- ☆35Updated 4 years ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆29Updated 4 months ago
- ☆27Updated last month
- Some Rosetta Scripts that allow for various simple tasks☆14Updated 5 years ago
- Material to run the HADDOCK antibody-antigen modelling protocol☆22Updated last month
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated 2 years ago
- Docking Tool Benchmarking Workflow☆24Updated last year
- An open-source library for the analysis of protein interactions.☆32Updated 3 years ago
- PyDock Tutorial☆34Updated 7 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 8 months ago
- Computer aided proximal decaging as a universal strategy for temporal protein activation☆24Updated 5 months ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆33Updated last year