the website blocklist I am maintaining

Real time molecular dynamics in the browser using LAMMPS

A tool to create pixel-accurate energy diagrams as ChemDraw object

My tools for the Slurm HPC workload manager

Your most handy video processing software

VSCODE extension for language support of LAMMPS scripts

Constant potential method in LAMMPS

Tool to build force field input files for molecular simulation

Force field for ionic liquids

Zotero is a free, easy-to-use tool to help you collect, organize, annotate, cite, and share your research sources.

A package for MD, Docking and Machine learning drug discovery pipeline

Parallel algorithms for MDAnalysis

SchNetPack - Deep Neural Networks for Atomistic Systems

A curated list of Python packages related to chemistry

A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies

😎 A curated list of awesome Molecular Dynamics libraries, tools and software.

📐 Jekyll theme for building a personal site, blog, project documentation, or portfolio.

A lightweight utility which can automatically switch the display state of the Windows Taskbar.

A lightweight utility that makes the Windows taskbar translucent/transparent.

Using machine learning to predict the performance of supercapacitors.

Artificial Intelligence Enabled Electrochemical Analysis.