quantaosun / Pymol_ScriptLinks
A python script for PyMol to make protein-ligand interaction images.
☆16Updated 9 months ago
Alternatives and similar repositories for Pymol_Script
Users that are interested in Pymol_Script are comparing it to the libraries listed below
Sorting:
- Fully automated high-throughput MD pipeline☆86Updated this week
- ☆25Updated last year
- The Guest HOst Affinity Tool (GHOAT.py) is a fully automated tool for absolute binding free energy calculations on guest-host systems.☆21Updated 7 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆53Updated last week
- Cryptic pocket prediction using AlphaFold 2☆24Updated 3 years ago
- ☆32Updated 2 years ago
- Codes to use funnel-metadynamics and funnel metadynamics automated protocol☆30Updated 4 years ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆56Updated last week
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆46Updated 4 years ago
- A tutorials suite for BioSimSpace.☆31Updated 2 months ago
- Computational Chemistry Workflows☆56Updated 3 years ago
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆28Updated 2 months ago
- An OpenMM plugin that implements the Alchemical Transfer Potential☆39Updated 2 years ago
- This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.☆58Updated 2 weeks ago
- Free Parametrization for Small Molecules☆49Updated 2 months ago
- FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery☆78Updated 11 months ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆23Updated last week
- Collection of Python scripts to setup and run simulations with OpenMM☆17Updated 5 years ago
- ☆16Updated last year
- Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.☆34Updated 2 years ago
- Molecular Dynamics for Experimentalists☆65Updated last month
- ☆40Updated last year
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 9 months ago
- Tool to predict water molecules placement and energy in ligand binding sites☆34Updated 3 months ago
- Python code to run Thermal Titration Molecular Dynamics (TTMD) simulations☆20Updated last year
- Cloud GPU supported NAMD3-based binding free energy difference between two small molecules against the same protein target. This is prob…☆26Updated last month
- ☆38Updated 4 months ago
- ☆53Updated 7 months ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆30Updated last month
- Contributed and additional nodes for maize☆20Updated last month