draskot / ViniLinks
The Vini in silico model of cancer
☆12Updated last month
Alternatives and similar repositories for Vini
Users that are interested in Vini are comparing it to the libraries listed below
Sorting:
- Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another not…☆35Updated 2 months ago
- Input files for GROMACS tutorials written for the Journal of Physical Chemistry B☆20Updated 11 months ago
- The gmx_rrcs script is designed to calculate the residues-residues contact scores (rrcs) from a trajectory file generated by GROMACS.☆16Updated last week
- Google Colab notebooks for running molecular dynamics simulations with GROMACS☆33Updated last year
- For the purpose of post progressing of MD carried by gromacs☆22Updated 3 months ago
- Automatic CHARMM-GUI browser interaction with Python☆14Updated 2 years ago
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆29Updated 3 weeks ago
- MD pharmacophores and virtual screening☆33Updated last year
- Academic license pre-required. While FEP Plus charge you 100,000 USD per year. Here comes the FEP-Minus, it is a Schrodinger FEP Plus ide…☆21Updated 10 months ago
- ☆28Updated last year
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 3 years ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆17Updated last year
- A python script for PyMol to make protein-ligand interaction images.☆11Updated 2 months ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆26Updated 3 years ago
- Code for ApoDock☆20Updated 2 months ago
- Clustering of SES virtual probes for pocket generation and ranking via Isolation Forest☆12Updated 2 years ago
- ☆14Updated 11 months ago
- ☆19Updated last year
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated 2 years ago
- Python code to automatically interact with PDBePISA web server☆11Updated 3 years ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆12Updated 3 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆15Updated last year
- ☆12Updated 4 years ago
- An efficient approach to RMSD-Based HDBSCAN Clustering of long Molecular Dynamics☆15Updated 2 years ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.☆26Updated last week
- A collection of useful tutorials for Protein Science☆18Updated 9 years ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- User friendly molecular dynamics simulation combining GROMACS and Google Colab: A complete guide☆14Updated 6 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆27Updated 4 months ago