Pinned Repositories
algae
Port of Rob Pike's ivy to Rust
cl-weather
Weather dashboard written in Common Lisp
fakespace
Create fake pictures of space
fig
A simple configuration language
lipoma
Literally Interpreting esPalOMA parameters
pbqff
push-button quartic force fields
qcrab
Quantum Chemistry in Rust, Author Brent
rwm
rust window manager ported from dwm
spectro
second-order rotational and vibrational perturbation theory for molecular spectroscopy
yt-configs
Configs from the virtual machine on my YouTube channel
ntBre's Repositories
ntBre/sneer
SMIRKS pattern parsing
ntBre/clustrs
Data clustering algorithms in Rust
ntBre/chembl-search
searching the ChEMBL database for molecules matching SMARTS patterns
ntBre/venom
Toy Lisp-like language in Rust
ntBre/fftools
Force field fitting analysis utilities
ntBre/coprelos
ntBre/ib
internal benchmarking code
ntBre/besmarts
ntBre/.emacs
Basic Emacs 29 config from my rwm streams
ntBre/lipoma
Literally Interpreting esPalOMA parameters
ntBre/review
simple molecule viewer in Rust
ntBre/rdkit-fork
ntBre/forcebalance
Systematic force field optimization.
ntBre/brint
basic rust integrals for quantum chemistry based on libcint
ntBre/advent23
Advent of Code 2023
ntBre/garage-door
like a portal but a lot bigger
ntBre/vflib
tools for optimizing valence terms in OpenFF force fields
ntBre/advent_o_caml22
Advent of Code 2022 in OCaml
ntBre/anakin
ntBre/matemol
Rust port of checkmol
ntBre/scope
Convert SPECTRO output to Gaussian style for viewing
ntBre/arch-packages
Arch PKGBUILDs
ntBre/ligand
ntBre/openmm-sys
rust bindings to openmm
ntBre/torx
simple graph library based on networkx
ntBre/openmm
safe Rust interface to openmm-sys
ntBre/openff-toolkit
Rust version of the OpenForceField tools
ntBre/msm
use the modified seminario method to compute new bond and angle parameters
ntBre/rodeo
rdkit in Rust
ntBre/rdkit-wrapper