Theme Suite inspired by Neon Genesis Evangelion

Chemomlie: an explainable multi-level GNN model for combustion property prediction

SinsuSquid's contributions to R1215's Evernote Manuals

GNN tutorial for 1215

An arctic, north-bluish clean and elegant Vim theme.

Multiple cursors plugin for vim/neovim

🌺 Minimalist Vim Plugin Manager

An arctic, north-bluish clean and elegant iTerm2 color scheme.

Automated force-field parameterization software

FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction

repository for Group-contribution based Graph neural Networks

A Python implementation of global optimization with gaussian processes.

Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.

Analyze correlations in lithium-ion diffusion trajectories

AI-powered ab initio biomolecular dynamics simulation

Modern Design theme for Grub2