Pinned Repositories
algae
Port of Rob Pike's ivy to Rust
anpass
ordinary least-squares fitting and stationary point determination
cl-weather
Weather dashboard written in Common Lisp
fakespace
Create fake pictures of space
intder
internal coordinate geometry and derivative transformations
lipoma
Literally Interpreting esPalOMA parameters
pbqff
push-button quartic force fields
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/rwm
rust window manager ported from dwm
ntBre/pbqff
push-button quartic force fields
ntBre/spectro
second-order rotational and vibrational perturbation theory for molecular spectroscopy
ntBre/summarize
summarize the output of chemistry programs
ntBre/anpass
ordinary least-squares fitting and stationary point determination
ntBre/rust-semp
semp but in Rust
ntBre/symm
molecular symmetry library
ntBre/bwestbro.com
ntBre/intder
internal coordinate geometry and derivative transformations
ntBre/benchmarking
benchmarking openff force fields
ntBre/braces
fix your SMILES
ntBre/chembl-search
searching the ChEMBL database for molecules matching SMARTS patterns
ntBre/chomper
ntBre/clustrs
Data clustering algorithms in Rust
ntBre/cura
Chemical dataset curation
ntBre/curato
Chemical dataset curation
ntBre/descent-ff
Scripts for fitting force fields using descent
ntBre/donkey
raylib 5.0 bindings in Rust
ntBre/fftools
Force field fitting analysis utilities
ntBre/griddy
ntBre/mopac
Molecular Orbital PACkage
ntBre/psqs
quantum chemistry ProgramS and Queuing systemS
ntBre/rdkit-rs
RDKit interface in safe Rust
ntBre/rdkit-sys
C and Rust wrappers for RDKit
ntBre/sneer
SMIRKS pattern parsing
ntBre/specsim
simulate IR spectra
ntBre/taylor
generate taylor series expansions
ntBre/valence-fitting
ntBre/venom
Toy Lisp-like language in Rust
ntBre/weight-watcher
Simple web app to record body weights over time