Name: Sebastian Ehlert
Type: User
Company: Microsoft Research, AI for Science
Bio: Theoretical chemist, computational chemistry researcher, developing quantum chemistry in Fortran, Python and C++, packaging scientific software.
Location: Amsterdam, Netherlands
Sebastian Ehlert's Projects
Configuration files for my account
3ob parameters
A conda-smithy repository for airss.
Advent of Code 2021 in many languages, questionable code quality is guaranteed
Advent of Code 2022 in many languages, questionable code quality is guaranteed
A conda-smithy repository for asciidoctor.
Python-native(ish) implementation of Grimme's DFT-D3(BJ) correction for use in Atomic Simulation Environment (ASE)
Container version of avogadro1 for distros not supporting avogadro1 anymore
A conda-smithy repository for azure-mgmt-containerregistry.
A conda-smithy repository for azure-storage-queue.
A conda-smithy repository for beanie.
Interface declarations for basic linear algebra subprograms
The Basic Matrix Library (bml)
A conda-smithy repository for bml.
ReStructuredText and Sphinx bridge to Doxygen
A conda-smithy repository for bunnet.
personal copy of heavily tampered with command line define
CENSO - Commandline ENergetic SOrting of Conformer Rotamer Ensembles
A conda-smithy repository for censo.
A conda-smithy repository for cereal.
Fortran package to check for version coherence in source and build files
A conda-smithy repository for circlify.
Open source implementation of a Fortran interface to Khronos OpenCL API
Example repo for uploading reports to Codecov
A conda-smithy repository for conda-forge-pinning.
A conda-smithy repository for conda-forge-repodata-patches.
Simplified Data Exchange for HPC Simulations
Configuration files which make some computers very useable for me personally