Sebastian Ehlert (awvwgk)

awvwgk

Geek Repo

Company:Microsoft Research, AI for Science

Location:Amsterdam, Netherlands

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Organizations
conda-forge
crest-lab
dftbparams
dftbplus
dftd3
dftd4
fortran-lang
grimme-lab
lfortran
microsoft
MicrosoftResearch
numfocus
qcxms
spack
tblite
tbmalt
toml-f

Sebastian Ehlert's repositories

tblite

Light-weight tight-binding framework

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xtb

Semiempirical Extended Tight-Binding Program Package

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dftbplus

DFTB+ general package for performing fast atomistic simulations

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homebrew-core

🍻 Default formulae for the missing package manager for macOS (or Linux)

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skprogs

Basic programs for generating Slater-Koster files for the DFTB-method

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bml

The Basic Matrix Library (bml)

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conda-forge-pinning-feedstock

A conda-smithy repository for conda-forge-pinning.

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conda-forge-repodata-patches-feedstock

A conda-smithy repository for conda-forge-repodata-patches.

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cpp-terminal

Small header only C++ library for writing multiplatform terminal applications

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crest

Conformer-Rotamer Ensemble Sampling Tool based on the xtb Semiempirical Extended Tight-Binding Program Package

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fortran-stdlib

Fortran Standard Library

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fortran-webpage

New Fortran webpage

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jax-feedstock

A conda-smithy repository for jax.

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jaxtyping-feedstock

A conda-smithy repository for jaxtyping.

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knack-feedstock

A conda-smithy repository for knack.

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lfortran

Official main repository for LFortran

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meson

The Meson Build System

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MINGW-packages

Package scripts for MinGW-w64 targets to build under MSYS2.

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mstore

Molecular structure store for testing

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nlopt

library for nonlinear optimization, wrapping many algorithms for global and local, constrained or unconstrained, optimization

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packmol

Packmol

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plumed2

Development version of plumed 2

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psi4

Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

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pyscf.github.io

PySCF website and documentation

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scipy

SciPy library main repository

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spack

A flexible package manager that supports multiple versions, configurations, platforms, and compilers.

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spglib-feedstock

A conda-smithy repository for spglib.

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staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

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