schlessinger-lab / pyvolLinks
volume calculation and segmentation
☆33Updated last year
Alternatives and similar repositories for pyvol
Users that are interested in pyvol are comparing it to the libraries listed below
Sorting:
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆60Updated this week
- MMTSB Tool Set☆32Updated last month
- The OpenMM Cookbook and Tutorials☆47Updated last month
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆44Updated 2 years ago
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆20Updated 3 weeks ago
- Fully automated docking pipeline (can be run in distributed environments)☆49Updated this week
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆52Updated 3 months ago
- The repository pymolschortucts contains the a collection of shortcuts that are loaded on startup of PyMOL. These shortcuts enable websear…☆80Updated this week
- (Linux and macOS) AMDock: Assisted molecular docking with AutoDock4 and AutoDockVina☆70Updated 2 years ago
- Gromacs_py is a python library allowing a simplified use of the gromacs MD simulation software. Gromacs_py can build topologie based on a…☆49Updated 3 years ago
- An application for configuring and running simulations with OpenMM☆73Updated this week
- Computational Chemistry Workflows☆55Updated 3 years ago
- MD pharmacophores and virtual screening☆33Updated last year
- Analysis of non-covalent interactions in MD trajectories☆62Updated 8 months ago
- Ligand-Protein Interaction Mapping☆62Updated 4 months ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆68Updated 2 weeks ago
- Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another not…☆36Updated 4 months ago
- ☆31Updated 5 months ago
- Utilities to assist with Amber Molecular Dynamics structure preparation and MMPBSA.py energy methods☆19Updated 5 years ago
- ☆95Updated 6 months ago
- A Python program for QM/MM Simulations based on the Perturbed Matrix Method☆26Updated last year
- The code for the QuickVina homepage.☆34Updated 2 years ago
- pyKVFinder: Python-C parallel KVFinder☆26Updated this week
- Implementation of the SolTranNet tool utilizing the molecular transformer to predict aqueous solubility☆39Updated 4 years ago
- The Biochemical Library (BCL) integrates traditional small molecule cheminformatics tools with machine learning-based quantitative struct…☆32Updated last year
- Cloud-based Drug Binding Structure Prediction☆38Updated 6 months ago
- PyRod - Tracing water molecules in molecular dynamics simulations☆50Updated 4 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆35Updated 2 months ago
- A MolProbity-style visualization plugin for PyMOL☆16Updated 3 years ago
- Analysis of contacts in molecular dynamics trajectories☆43Updated 5 years ago