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followers: 146.0 following: 15.0 repos: 65.0 gists: 11.0

Name: Jimmy C. Kromann

Type: User

Company: Pharma

Bio: Quantum chemistry, cheminformatics and machine learning. Working as a data scientist in the pharmaceutical industry.

Twitter: jckromann

Location: Basel, Switzerland

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- I like VIM and TMUX
- I like Python and Fortran
- I like Quantum Chemistry and Cheminformatics
- I like Machine Learning and Data Science

But mostly
- I love Makefiles

Jimmy C. Kromann's Projects

algorithms_and_data_structures

160+ Algorithm & Data Structure Problems using C++

babel

Babel is a compiler for writing next generation JavaScript.

bayes-mndo

Bayesian inference for parameter optimization in semiempirical QM

beamer_ucph

LaTex Beamer template for university of copenhagen

blog

Content from computerandchemistry.blogspot.com

calcit

code to calculate things with

carbon-svelte-app

charnley

check-sdf

Script to correct connectivity in SDF files via NBO calculations

chemhelp

Interface between Quantum Chemistry programs and RDKit

conformer_search

Generate possible conformations for small molecules for subsequent semi-empirical optimization.

convert-in-terminal

Simple convert and math script, for when you don't want to open a browser

data2csv

Parse bulk output files into a single CSV file

debian-cluster-configuration

Configuration files for a Debian computational cluster

dftd3-wrapper

Wrapper for Stephan Grimme's DFT-D3 program (for easy interface to QM programs).

dlib

A toolkit for making real world machine learning and data analysis applications in C++

doi2bib

Convert DOI URI to Latex BIB

dotfiles

My enviromental dotfiles

dotfiles.x

Dotfiles for desktop enviroment (mostly i3wm)

ghof

Theoretical Heat of Formation from a G4 Gaussian calculation (output file)

inertia

Get inertia from molecule databases

lap-solvers

Benchmarking Linear Assignment Problem Solvers

libopenmndo

Open-sourced library for semi-empirical MNDO integrals.

little_shits

Simple Python code comparison

matplotlib-colourmap-generator

Generating a colour map for MatPlot libs set_cmap for visualising matrices.

matplotlib-header

Simple matplotlib header for making your plots more visual pleasing.

matplotlib-views

Views for various common matplotlib plots

matplotlib_examples

A gallery of matplotlib examples

megawordsmemoryconverter

Tiny python script to convert between megawords and megabytes

mfls

Make Fortran Less Sucky(tm)

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