Python program for modelling and simulating polymers.

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

A trivial demo of chemical regioselectivity prediction via machine learning

Deep Learning Potential model with Symmetry Invariant and Equivariant Descriptor

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

Chrome extension displaying a chemistry molecule on new tab pages.

Fortran code for a computational chemistry simulation

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.