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Genarris 2.0: A random structure generator for molecular crystalsProgram Files DOI
Genarris 2.0 is a highly distributed molecular crystal structure prediction package written in Python/C featuring workflows that combine first principles simulations with machine learning. The program employs the following external routines and libraries: Spglib, ASE, pymatgen, SciPy, mpi4py, scikit-learn, PyTorch, FHI-aims.

Harriet O'Brien's Projects

animerch icon animerch

Animerch: Mock eCommerce website (Frontend TBA)

awesome-haskell icon awesome-haskell

A collection of awesome Haskell links, frameworks, libraries and software. Inspired by awesome projects line.

crystem icon crystem

WxPython desktop application for simulation of crystal structures and symmetry operations in wxAuiNotebook-embedded Mayavi scenes

kanjirakka icon kanjirakka

Kanji Rakka (漢字落下) → in-progress typing game using API to retrieve 13,000+ kanji, their meanings, and more for different gameplay modes (Jōyō, Jinmeiyō, Kyōiku, by grade or JLPT level).

organblender icon organblender

Extracts organs from CT scans, creating meshes that can be imported into Blender. There will likely be a better application for the methods/tech involved, but will there be a better name?

stochflow icon stochflow

a Python library that implements the stochastic interpolant models and algorithms described in the paper "Stochastic Interpolants via Diffusive and Flow-based Processes" by Chen et al.

tetrauma icon tetrauma

Customizable tetris implementation in PyQt6 including features to add custom falling piece color schemes (or select from default schemes), next-piece preview, hold queue, falling piece counts, and FastAPI for user authentication and leaderboard

vivaldi-themes icon vivaldi-themes

Vivaldi browser themes with original pixel art contrived from manually manipulating compressed image data

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