VirtualFlow / VFToolsLinks
☆31Updated last year
Alternatives and similar repositories for VFTools
Users that are interested in VFTools are comparing it to the libraries listed below
Sorting:
- VirtualFlow for Ligand Preparation☆60Updated 2 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 5 months ago
- ☆27Updated 4 years ago
- The code for the QuickVina homepage.☆35Updated 2 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated 2 years ago
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- Welcome to Colab_NAMD_suit, your gateway to running MD simulations!☆16Updated last year
- MD pharmacophores and virtual screening☆33Updated last year
- Automatic extraction of interacting compound-target pairs from ChEMBL.☆18Updated last month
- Contact map analysis for biomolecules; based on MDTraj☆46Updated 10 months ago
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆21Updated last month
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Updated 4 years ago
- Integrative modeling of PROTAC-mediated ternary complex☆28Updated 3 years ago
- PyMOL Plugin for displaying polar contacts☆17Updated 6 years ago
- Material to run the HADDOCK antibody-antigen modelling protocol☆22Updated last month
- An open-source library for the analysis of protein interactions.☆32Updated 3 years ago
- ☆33Updated last year
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆18Updated 2 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆51Updated last month
- The code was developed for training diverse ML and DL models to predict PROTACs degradation. Data cleaning for two public datasets, PROTA…☆12Updated 2 years ago
- Open Source, Mostly just clicking mouse to finish a simulation with Ambertools and OpenMM. It was designed to use locally but another not…☆37Updated 6 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆15Updated last year
- Repo contains source code of the SurfaceID paper☆25Updated last year
- Protein-Ligand Interaction Fingerprints☆21Updated 4 years ago
- For the purpose of post progressing of MD carried by gromacs☆22Updated 3 months ago
- Analysis of contacts in molecular dynamics trajectories☆43Updated 5 years ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- ☆21Updated 10 months ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- Set of useful HADDOCK utility scripts☆55Updated last month