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
pygments-ansi-color-feedstock
A conda-smithy repository for pygments-ansi-color.
pygsm
Thermal and photochemical reaction path optimization and discovery
pyscf-dftd3
DFT-D3 interface
pyscf.github.io
PySCF website and documentation
qc2-teaching
Resources for teaching quantum chemistry courses in Bonn
qcelemental
Periodic table, physical constants, and molecule parsing for quantum chemistry.
qcengine
Quantum chemistry program executor and IO standardizer (QCSchema).
qcxms
Quantum mechanic mass spectrometry calculation program
qcxms-feedstock
A conda-smithy repository for qcxms.
qmd-progress
PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.
quadpack
Modern Fortran QUADPACK Library for 1D numerical quadrature
r2scan-d4-paper
Dispersion corrected meta-generalized gradient approximation for general chemical applications
ringdecomposerlib-feedstock
A conda-smithy repository for ringdecomposerlib.
rmsd-tool
Tool to calculate the root mean square deviation between molecular structures
s-bas
FORTRAN example for reading basis sets in TM format
scalapackfx
Modern Fortran wrappers around ScaLAPACK routines
scalapackfx-feedstock
A conda-smithy repository for scalapackfx.
scine-chemoton-feedstock
A conda-smithy repository for scine-chemoton.
scine-core-feedstock
A conda-smithy repository for scine-core.
scine-database-feedstock
A conda-smithy repository for scine-database.
scine-database-python-feedstock
A conda-smithy repository for scine-database-python.
scine-molassembler-feedstock
A conda-smithy repository for scine-molassembler.
scine-puffin-feedstock
A conda-smithy repository for scine-puffin.
scine-readuct-feedstock
A conda-smithy repository for scine-readuct.
scine-sparrow-feedstock
A conda-smithy repository for scine-sparrow.
scine-sparrow-python-feedstock
A conda-smithy repository for scine-sparrow-python.
scine-utilities-python-feedstock
A conda-smithy repository for scine-utilities-python.
scine-utilsos-feedstock
A conda-smithy repository for scine-utilsos.
scine-xtb-feedstock
A conda-smithy repository for scine-xtb.
scine-xtb-wrapper
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
Django
The Web framework for perfectionists with deadlines.
Laravel
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
Microsoft
Open source projects and samples from Microsoft.
Google
Google ❤️ Open Source for everyone.
Alibaba
Alibaba Open Source for everyone
D3
Data-Driven Documents codes.
Tencent
China tencent open source team.
