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followers: 289.0 following: 97.0 repos: 282.0 gists: 15.0

Name: Sebastian Ehlert

Type: User

Company: Microsoft Research AI4Science

Bio: Theoretical chemist, computational chemistry researcher, developing semi-empirical quantum chemistry in Fortran, Python, and sporadically C++.

Location: Amsterdam, Netherlands

Sebastian Ehlert's Projects

aoc-2021 icon aoc-2021

Advent of Code 2021 in many languages, questionable code quality is guaranteed

aoc-2022 icon aoc-2022

Advent of Code 2022 in many languages, questionable code quality is guaranteed

ased3 icon ased3

Python-native(ish) implementation of Grimme's DFT-D3(BJ) correction for use in Atomic Simulation Environment (ASE)

bml icon bml

The Basic Matrix Library (bml)

breathe icon breathe

ReStructuredText and Sphinx bridge to Doxygen

cefine icon cefine

personal copy of heavily tampered with command line define

censo icon censo

CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles

check-version icon check-version

Fortran package to check for version coherence in source and build files

clfortran icon clfortran

Open source implementation of a Fortran interface to Khronos OpenCL API

conduit icon conduit

Simplified Data Exchange for HPC Simulations

config icon config

Configuration files which make some computers very useable for me personally

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