Explore projects
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New molecular representation based on Persistence Homology for chemical applications.
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A package, which models chemical compounds' isomers.
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Surface science tools for surface analysis techniques
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Jacob Vogler / SiO2-Structure-Genatator
GNU General Public License v3.0 or laterThis program uses the unit cell to generate a cuboid of the SiO2 structure.
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Leopold Lindenbauer / Hartree-Fock Tutorial
MIT LicenseJupyter Notebook working out the HF-Method for H2 with STO-3G - also a (quite steep) python primer.
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Michael Connor Buchan / gcse-notes
GNU Free Documentation License v1.3A bunch of markdown notes for GCSE revision topics.
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The game that teaches theoretical chemistry with all the fun of a Crazy-Golf course.
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atomsandbits / atomsandbits
MIT Licenseatoms+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.
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A work in progress as I learn Haskell. Ultimately I want it to come up with sane chemical reaction schemes for organic compounds.
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