isakvals / AEV-PLIGLinks
☆17Updated 3 months ago
Alternatives and similar repositories for AEV-PLIG
Users that are interested in AEV-PLIG are comparing it to the libraries listed below
Sorting:
- Fully automated high-throughput MD pipeline☆62Updated last month
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 4 months ago
- ☆48Updated 2 months ago
- Computational Chemistry Workflows☆54Updated 3 years ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 5 months ago
- Open-source online virtual screening tools for large databases☆28Updated last year
- Lightweight induced fit docking☆21Updated 2 years ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆50Updated last month
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆19Updated last year
- Use AutoDock for Ligand-based Virtual Screening☆22Updated 11 months ago
- ☆22Updated 5 months ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆37Updated 3 weeks ago
- ☆36Updated 3 months ago
- MD pharmacophores and virtual screening☆33Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated last month
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆44Updated 4 years ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- Scores for Hydrophobicity and Charges based on SASAs☆32Updated last month
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 9 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆40Updated last year
- Cryptic pocket prediction using AlphaFold 2☆23Updated 2 years ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆34Updated 5 months ago
- ☆40Updated 3 months ago
- ☆92Updated 4 months ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆48Updated 2 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆46Updated this week
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆56Updated 7 months ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆22Updated last year
- Ligand-Protein Interaction Mapping☆56Updated 2 months ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆40Updated 2 months ago