Beast code in Giters

Cyrille Lavigne's repositories

fchic

Language:PythonMIT6 10

qchem_g16

Language:RustUnlicense6 20

cola

Koka-style, stack safe algebraic effects in Scala

Language:Scala300

huckster

Huckster is an extended Huckel calculator.

Language:FortranMIT3 20

ananas

Convert arbitrary data into NaNs! 🍍

Language:RustUnlicense2 10

casscf-tete

casscf-tete helps you build your input decks for GAMESS CAS-SCF calculations.

Language:RustUnlicense1 10

feedback-control-retinal

Ultrashort shaped pulse control of retinal isomerization as a test for optimizers

Language:PythonBSD-2-Clause1 10

pwfn

pwfn is a small library for parsing .wfn files in python

Language:PythonMIT1 10

a-collection-of-barriers

Repo for a dataset of reaction barriers

Language:TeX010

hypermodern-conda

An empty package for modern python development in Conda, based on https://github.com/cjolowicz/hypermodern-python

Language:PythonMIT010

cclib

Parsers and algorithms for computational chemistry logfiles

Language:PythonBSD-3-Clause000

dotty

The Scala 3 compiler, also known as Dotty.

Language:ScalaApache-2.0000

elpy

Emacs Python Development Environment

Language:Emacs LispGPL-3.0000

FLIPT.jl

Proof-of-concept code for https://arxiv.org/pdf/1907.07734.pdf

Language:Julia010

julia-numpy-fortran-test

Comparing Julia vs Numpy vs Fortran for performance and code simplicity

Language:FortranMIT000

pytorch-invertible

Invertible Neural Networks with data-dependent initialization, in pytorch.

000

rq

Simple job queues for Python

Language:PythonNOASSERTION000

ts_gen

Generate 3D transition state geometries with GNNs

Language:PythonMIT000

xtb

Semiempirical Extended Tight-Binding Program Package

Language:FortranLGPL-3.0000

yay-evil-emacs

A lightweight literate Emacs config with even better "better defaults". Shipped with a custom theme!

Language:Emacs LispGPL-3.0000