mabdelmaksoud53 / Colab_NAMD_SuiteLinks
Welcome to Colab_NAMD_suit, your gateway to running MD simulations!
☆16Updated last year
Alternatives and similar repositories for Colab_NAMD_Suite
Users that are interested in Colab_NAMD_Suite are comparing it to the libraries listed below
Sorting:
- Tools for molecular Docking☆27Updated 2 months ago
- a pipeline for running MD simulations in the presence of probe molecules for druggability assessment☆12Updated last year
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆26Updated last week
- Python package wrapping the DOCK Fortran program and providing several tools built on top of it.☆14Updated 3 weeks ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆14Updated 4 years ago
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆20Updated last month
- MD pharmacophores and virtual screening☆33Updated last year
- A PyMOL plugin with accompanying Docker image for kinase inhibitor binding and affinity prediction☆12Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 4 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆15Updated last year
- Plugin for folding sequences directly in PyMOL