azamanos / HydraProt
☆15Updated last month
Alternatives and similar repositories for HydraProt:
Users that are interested in HydraProt are comparing it to the libraries listed below
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆14Updated 3 months ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆12Updated last year
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆13Updated 9 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 3 months ago
- Learning Protein-Ligand Properties with Atomic Environment Vectors☆9Updated 9 months ago
- A Memetic Algorithm boosts accuracy and speed of all-atom protein-protein docking☆26Updated 9 months ago
- WaterDock-2.0 implementation with Akshay Sridhar☆15Updated last year
- ☆24Updated 5 months ago
- PyDock Tutorial☆30Updated 6 years ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆24Updated 2 weeks ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆26Updated last year
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆11Updated 10 months ago
- ☆15Updated last month
- Binding pocket optimization based on force fields and docking scoring functions☆30Updated last month
- ☆12Updated 7 months ago
- De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors☆18Updated 2 months ago
- ☆22Updated 2 months ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆17Updated this week
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆23Updated last year
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆18Updated last year
- Code for ApoDock☆17Updated 3 weeks ago
- Deep Binding Structure RMSD Prediction☆22Updated 3 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- ☆23Updated 3 years ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆21Updated last month
- scripts to find PBD structures for cancer driver proteins☆29Updated 2 weeks ago
- Protein-Ligand Interaction Fingerprints☆19Updated 4 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆27Updated 9 months ago
- ☆18Updated 3 years ago
- development repository for PyInteraph2☆22Updated 2 months ago