Pymol-Scripts / pymol2-demo-plugin
Demo plugin for PyMOL with PyQt
☆11Updated 5 years ago
Alternatives and similar repositories for pymol2-demo-plugin:
Users that are interested in pymol2-demo-plugin are comparing it to the libraries listed below
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆21Updated last month
- Automate MD associated calculations☆53Updated this week
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆12Updated last year
- ☆26Updated 7 months ago
- ☆18Updated 3 years ago
- Lightweight induced fit docking☆19Updated last year
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆24Updated 2 weeks ago
- Binding pocket optimization based on force fields and docking scoring functions☆30Updated last month
- Open-source online virtual screening tools for large databases☆15Updated 6 months ago
- ☆21Updated last month
- Fully automated docking pipeline (can be run in distributed environments)☆39Updated last week
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆14Updated 3 months ago
- Computational Chemistry Workflows☆54Updated 2 years ago
- ☆13Updated last year
- Cryptic pocket prediction using AlphaFold 2☆22Updated 2 years ago
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆44Updated 3 years ago
- Collection of Python scripts to setup and run simulations with OpenMM☆15Updated 4 years ago
- InteractionDrawer is a JavaScript library for the drawing of highly interactive 2D ligand interaction diagrams.☆18Updated last year
- Machine learning accelerated docking screens☆27Updated last week
- Weighted Ensemble Data Analysis and Plotting☆23Updated 4 months ago
- RF-Score-VS binary☆30Updated 6 years ago
- a VMD plugin for binding affinity prediction using end-point free energy methods☆28Updated 8 years ago
- pKAI: a fast and interpretable deep learning approach to accurate electrostatics-driven pKa prediction☆30Updated 3 years ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆37Updated last year
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆42Updated last month
- Cloud-based Drug Binding Structure Prediction☆34Updated last week
- Python package wrapping the DOCK Fortran program and providing several tools built on top of it.☆13Updated 7 months ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆11Updated 10 months ago
- MD pharmacophores and virtual screening☆33Updated last year
- A collections of scripts for working molecular dynamics simulations☆41Updated 8 months ago