GRAVITy - GROMACS Automation Pipeline
A comprehensive automated pipeline for molecular dynamics simulations using GROMACS. Streamlines the entire MD workflow from system setup to trajectory analysis with an integrated GUI and 3D molecular visualization.
GRAVITy Pipeline
Automated GROMACS pipeline for MD simulations. Features system setup, protein rectification, parameterization, production runs, and trajectory analysis.
UniDock GUI
A user-friendly graphical interface for Uni-Dock, a GPU-accelerated molecular docking program. Simplifies high-throughput virtual screening with up to 2000x speedup.
FELBuilder
Automated PCA + Free Energy Landscape analysis pipeline for MD trajectories. Single-command execution from raw simulations to publication-quality 2D/3D FEL plots.
More Coming Soon
New bioinformatics tools and pipelines are constantly in development. Check back regularly or follow me on GitHub for updates!
How to Cite
If you use any of these tools in your research, please cite appropriately
# Example citation format:
Tilewale, A. (2026). [Tool Name]. GitHub repository. https://github.com/AtharvaTilewale/[repo]
For specific citation information, please check individual tool documentation.
Contribute or Request Features
All tools are open-source and contributions are welcome! Found a bug or have a feature request? Open an issue on GitHub or reach out directly.
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