Degiacomi-Lab / JabberDockLinks
protein docking using a density-based descriptor for atoms charge and dynamics
☆14Updated 3 years ago
Alternatives and similar repositories for JabberDock
Users that are interested in JabberDock are comparing it to the libraries listed below
Sorting:
- PCA and normal mode analysis of proteins☆20Updated last year
- PyMOL Plugin for displaying polar contacts☆18Updated 6 years ago
- A parallel molecular docking program based on AutoDock Vina☆19Updated 4 months ago
- A place to store and edit the lab handbook for UCL courses that involve the use of open source tools in molecular docking.☆22Updated 3 years ago
- An MPI based parallel implementation of Autodock Vina☆17Updated 5 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 5 years ago
- 🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…☆11Updated 7 years ago
- OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.☆12Updated this week
- ☆12Updated 6 years ago
- Protein-Ligand Interaction Fingerprints☆21Updated 5 years ago
- GNN enabled surrogate modeling for chemical docking☆15Updated 3 years ago
- Ligand binding site prediction and virtual screening☆12Updated 7 years ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆27Updated 3 years ago
- Scripts to do docking, single virtual screening, and etc.☆21Updated 2 years ago
- ☆17Updated 3 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
- Protocols and tools to run (automated) atomistic simulations of enzyme-ligand systems☆21Updated 4 years ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆18Updated 3 years ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆27Updated 4 years ago
- Peptide Virtual Screening Pipeline☆12Updated 6 years ago
- Python script that creates 2D protein-ligand interaction images☆14Updated 7 years ago
- ATTRACT program suite for macromolecular docking (protein-protein, protein-nucleic acid, protein-peptide)☆19Updated 6 months ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆21Updated 4 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated 2 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Updated 3 years ago
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 4 years ago
- ☆14Updated 3 years ago
- Python code to automatically interact with PDBePISA web server☆10Updated 3 years ago
- Parallelized Open Babel & Autodock suite Pipeline☆24Updated 7 years ago
- A unified and modular interface to homology modelling software☆12Updated 2 years ago