Python program for modelling and simulating polymers.

The python 3 version of mol2chemfig package. 🛠️pip install mol2chemfigPy3

Deep Learning Potential model with Symmetry Invariant and Equivariant Descriptor

A trivial demo of chemical regioselectivity prediction via machine learning

A Unity program to identify the VSPER shape of a molecular compound. Custom C++ backend library to identify the shapes of the molecules and a Unity C# frontend

Calculation of electric-field-based steric (Sterimol) parameters.

A collection of chemistry api and tools for learners

Fortran code for a computational chemistry simulation

Chrome extension displaying a chemistry molecule on new tab pages.

Discover a treasure trove of meticulously crafted chemistry notes covering a wide spectrum of topics, from fundamental principles to advanced concepts. The repository delves into organic, inorganic, physical chemistry offering practical experiments and vivid diagrams to enhance understanding.

Takes Chemical Equations And Correctly Balances It. It also calculates NOX