masrul

GenTopo

Gromacs topology template generator

GMXTraj

Gromacs trajectory reader with OOP style for C++

MolAligner

Play with molecular structures

MonteCarlo-Pi

Inception

Blazingly fast molecular packing

PES_NN

vmath

Numpy like operation on C++ vector

BibtexFixer

Remove duplicates from bibtex

AutoDock-Vina

AutoDock Vina

Cassandra

Cassandra is a Monte Carlo package to conduct atomistic simulations.

DataStructures-and-Algorithms

Data structures and algorithms using C++

FixPBC

Fix PBC of macromolecules

foyer

A package for atom-typing as well as applying and disseminating forcefields

Grokking-the-Coding-Interview-Patterns-for-Coding-Questions

helpme

helPME: an efficient library for particle mesh Ewald

House-And-Senate-Stock-Transactions

How to get the US Senate and House of Representatives Stock Transactions

iCoMSE-DFT-Catalysis-School

Collection of Tutorials and Lectures from the DFT Catalysis School hosted at Mississippi State University, June 2022

indicators

Activity Indicators for Modern C++

jekyll-base

masrul

masrul.github.io

Masrul's Protfolio

modern-cpp-features

A cheatsheet of modern C++ language and library features.

molcloud

Make a bunch of molecules

MolecularCluster

Find number of molecular cluster

pugixml

Light-weight, simple and fast XML parser for C++ with XPath support

RandomViz

selfies

Robust representation of semantically constrained graphs, in particular for molecules in chemistry

Test

tomlplusplus

Header-only TOML config file parser and serializer for C++17.

YAPT