C

chemistry

A small python based peak finding program. Originally based off of work carried out at Brookhaven National Labs with the Gas Phase Molecular Dynamics group using transient absorbance spectroscopy.

New molecular representation based on Persistence Homology for chemical applications.

A tool to render mol and sdf files to OpenSCAD

A package, which models chemical compounds' isomers.

Surface science tools for surface analysis techniques

This program uses the unit cell to generate a cuboid of the SiO2 structure.

Jupyter Notebook working out the HF-Method for H2 with STO-3G - also a (quite steep) python primer.

https://chem-order-quiz.netlify.com/ chemical elements ordering quiz

A bunch of markdown notes for GCSE revision topics.

The game that teaches theoretical chemistry with all the fun of a Crazy-Golf course.

atoms+bits is an open source, deep learning based chemical discovery platform. Self-host atoms+bits on your own servers, in a container, or on a cloud provider.

A work in progress as I learn Haskell. Ultimately I want it to come up with sane chemical reaction schemes for organic compounds.