pharmai / plipLinks
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to π Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294
β588Updated 3 months ago
Alternatives and similar repositories for plip
Users that are interested in plip are comparing it to the libraries listed below
Sorting:
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scienβ¦β391Updated last year
- PDBFixer fixes problems in PDB filesβ585Updated last week
- Collected scripts for Pymolβ492Updated last month
- A deep learning framework for molecular dockingβ779Updated last month
- Official Python client for accessing ChEMBL APIβ420Updated 8 months ago
- Cloud-based molecular simulations for everyoneβ447Updated this week
- Interaction Fingerprints for protein-ligand complexes and moreβ443Updated last month
- AutoDock Vinaβ816Updated this week
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.β349Updated last month
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.β273Updated 3 months ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting fβ¦β271Updated last year
- Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and designβ617Updated last year
- AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.